1E64
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![BU of 1e64 by Molmil](/molmil-images/mine/1e64) | FERREDOXIN:NADP+ REDUCTASE MUTANT WITH LYS 75 REPLACED BY GLN (K75Q) | Descriptor: | FERREDOXIN-NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C. | Deposit date: | 2000-08-07 | Release date: | 2001-05-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Analysis of Interactions for Complex Formation between Ferredoxin-Nadp+ Reductase and its Protein Partners. Proteins, 59, 2005
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6S4A
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![BU of 6s4a by Molmil](/molmil-images/mine/6s4a) | Structure of human MTHFD2 in complex with TH9028 | Descriptor: | (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | Authors: | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | Deposit date: | 2019-06-27 | Release date: | 2021-07-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress. Nat Cancer, 3, 2022
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6S4F
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![BU of 6s4f by Molmil](/molmil-images/mine/6s4f) | Structure of human MTHFD2 in complex with TH9619 | Descriptor: | (E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid, ADENOSINE-5'-DIPHOSPHATE, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ... | Authors: | Scaletti, E.R, Gustafsson, R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | Deposit date: | 2019-06-27 | Release date: | 2021-07-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress. Nat Cancer, 3, 2022
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6S4E
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![BU of 6s4e by Molmil](/molmil-images/mine/6s4e) | Structure of human MTHFD2 in complex with TH7299 | Descriptor: | (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | Authors: | Gustafsson, R, Scaletti, E.R, Bonagas, N, Gustafsson, N.M, Henriksson, M, Abdurakhmanov, E, Andersson, Y, Bengtsson, C, Borhade, S, Desroses, M, Farnegardh, K, Garg, N, Gokturk, C, Haraldsson, M, Iliev, P, Jarvius, M, Jemth, A.S, Kalderen, C, Karsten, S, Klingegard, F, Koolmeister, T, Martens, U, Llona-Minguez, S, Loseva, O, Marttila, P, Michel, M, Moulson, R, Nordstrom, H, Paulin, C, Pham, T, Pudelko, L, Rasti, A, Roos, A.K, Sarno, A, Sandberg, L, Scobie, M, Sjoberg, B, Svensson, R, Unterlass, J.E, Vallin, K, Vo, D, Wiita, E, Warpman-Berglund, U, Homan, E.J, Helleday, T, Stenmark, P. | Deposit date: | 2019-06-27 | Release date: | 2021-07-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress. Nat Cancer, 3, 2022
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5CGE
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![BU of 5cge by Molmil](/molmil-images/mine/5cge) | Structure of Hydroxyethylthiazole Kinase ThiM from Staphylococcus aureus in complex with substrate analog 2-(2-methyl-1H-imidazole-1-yl)ethanol | Descriptor: | 2-(2-methyl-1H-imidazol-1-yl)ethanol, Hydroxyethylthiazole kinase, MAGNESIUM ION | Authors: | Kuenz, M, Drebes, J, Windshuegel, B, Cang, H, Wrenger, C, Betzel, C. | Deposit date: | 2015-07-09 | Release date: | 2016-03-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections. Sci Rep, 6, 2016
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4IOS
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![BU of 4ios by Molmil](/molmil-images/mine/4ios) | Structure of phage TP901-1 RBP (ORF49) in complex with nanobody 11. | Descriptor: | BPP, GLYCEROL, Llama nanobody 11 | Authors: | Desmyter, A, Farenc, C, Mahony, J, Spinelli, S, Bebeacua, C, Blangy, S, Veesler, D, van Sinderen, D, Cambillau, C. | Deposit date: | 2013-01-08 | Release date: | 2013-03-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Viral infection modulation and neutralization by camelid nanobodies Proc.Natl.Acad.Sci.USA, 110, 2013
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4AH6
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![BU of 4ah6 by Molmil](/molmil-images/mine/4ah6) | Human mitochondrial aspartyl-tRNA synthetase | Descriptor: | ASPARTATE--TRNA LIGASE, MITOCHONDRIAL | Authors: | Neuenfeldt, A, Sissler, M, Lorber, B, Florentz, C, Sauter, C. | Deposit date: | 2012-02-03 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Thermodynamic Properties Distinguish Human Mitochondrial Aspartyl-tRNA Synthetase from Bacterial Homolog with Same 3D Architecture Nucleic Acids Res., 41, 2013
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5ILN
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![BU of 5iln by Molmil](/molmil-images/mine/5iln) | Crystal structure of Aspartate Transcarbamoylase from Plasmodium falciparum (PfATC) with bound citrate | Descriptor: | Aspartate carbamoyltransferase, CITRATE ANION, GLYCEROL, ... | Authors: | Lunev, S, Bosch, S.S, Batista, F.D.A, Wrenger, C, Groves, M.R. | Deposit date: | 2016-03-04 | Release date: | 2017-03-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal structure of truncated Aspartate Transcarbamoylase from Plasmodium falciparum To be published
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5ILQ
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![BU of 5ilq by Molmil](/molmil-images/mine/5ilq) | Crystal structure of truncated unliganded Aspartate Transcarbamoylase from Plasmodium falciparum | Descriptor: | Aspartate carbamoyltransferase, GLYCEROL, SULFATE ION | Authors: | Lunev, S, Bosch, S.S, Batista, F.D.A, Wrenger, C, Groves, M.R. | Deposit date: | 2016-03-04 | Release date: | 2016-06-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of truncated aspartate transcarbamoylase from Plasmodium falciparum. Acta Crystallogr.,Sect.F, 72, 2016
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4HEM
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![BU of 4hem by Molmil](/molmil-images/mine/4hem) | Llama vHH-02 binder of ORF49 (RBP) from lactococcal phage TP901-1 | Descriptor: | Anti-baseplate TP901-1 Llama vHH 02, BPP | Authors: | Desmyter, A, Spinelli, S, Farenc, C, Blangy, S, Bebeacua, C, van Sinderen, D, Mahony, J, Cambillau, C. | Deposit date: | 2012-10-04 | Release date: | 2013-03-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Viral infection modulation and neutralization by camelid nanobodies Proc.Natl.Acad.Sci.USA, 110, 2013
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4HEP
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![BU of 4hep by Molmil](/molmil-images/mine/4hep) | Complex of lactococcal phage TP901-1 with a llama vHH (vHH17) binder (nanobody) | Descriptor: | BPP, SULFATE ION, vHH17 domain | Authors: | Desmyter, A, Spinelli, S, Farenc, C, Blangy, S, Bebeacua, C, van Sinderen, D, Mahony, J, Cambillau, C. | Deposit date: | 2012-10-04 | Release date: | 2013-03-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Viral infection modulation and neutralization by camelid nanobodies Proc.Natl.Acad.Sci.USA, 110, 2013
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7SG0
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![BU of 7sg0 by Molmil](/molmil-images/mine/7sg0) | W316 TCR in complex with HLA-DQ2-omega1 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DQ2-glia-omega1 peptide, ... | Authors: | Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J. | Deposit date: | 2021-10-04 | Release date: | 2022-02-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of T cell receptor specificity and cross-reactivity of two HLA-DQ2.5-restricted gluten epitopes in celiac disease. J.Biol.Chem., 298, 2022
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7SG1
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![BU of 7sg1 by Molmil](/molmil-images/mine/7sg1) | XPA5 TCR in complex with HLA-DQ2-alpha1 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J. | Deposit date: | 2021-10-04 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis of T cell receptor specificity and cross-reactivity of two HLA-DQ2.5-restricted gluten epitopes in celiac disease. J.Biol.Chem., 298, 2022
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7SG2
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![BU of 7sg2 by Molmil](/molmil-images/mine/7sg2) | XPA5 TCR in complex with HLA-DQ2-omega1 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J. | Deposit date: | 2021-10-04 | Release date: | 2022-02-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis of T cell receptor specificity and cross-reactivity of two HLA-DQ2.5-restricted gluten epitopes in celiac disease. J.Biol.Chem., 298, 2022
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6FSD
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![BU of 6fsd by Molmil](/molmil-images/mine/6fsd) | Mus musculus acetylcholinesterase in complex with 2-(4-Biphenylyloxy)-N-[3-(1-piperidinyl)propyl]-acetamide hydrochloride (10) | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide, ... | Authors: | Knutsson, S, Engdahl, C, Kumari, R, Kindahl, T, Forsgren, N, Lindgren, C, Kitur, S, Kamau, L, Ekstrom, F, Linusson, A. | Deposit date: | 2018-02-19 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency. J.Med.Chem., 61, 2018
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6FSE
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![BU of 6fse by Molmil](/molmil-images/mine/6fse) | Mus musculus acetylcholinesterase in complex with 1-(4-(4-Ethylpiperazin-1-yl)piperidin-1-yl)-2-((4'-methoxy-[1,1'-biphenyl]-4-yl)oxy)ethanone dihydrochloride (15) | Descriptor: | 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone, 2-(2-METHOXYETHOXY)ETHANOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ... | Authors: | Knutsson, S, Engdahl, C, Kumari, R, Kindahl, T, Forsgren, N, Lindgren, C, Kitur, S, Kamau, L, Ekstrom, F, Linusson, A. | Deposit date: | 2018-02-19 | Release date: | 2018-10-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency. J.Med.Chem., 61, 2018
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7RX0
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![BU of 7rx0 by Molmil](/molmil-images/mine/7rx0) | Complex of AMPPNP-Kif7 and Gli2 Zinc-Finger domain bound to microtubules | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF7, MAGNESIUM ION, ... | Authors: | Mani, N, Wilson-Kubalek, E.M, Haque, F, Freniere, C, Milligan, R.A, Subramanian, R. | Deposit date: | 2021-08-20 | Release date: | 2022-06-15 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.89 Å) | Cite: | Cytoskeletal regulation of a transcription factor by DNA mimicry via coiled-coil interactions. Nat.Cell Biol., 24, 2022
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5DCN
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![BU of 5dcn by Molmil](/molmil-images/mine/5dcn) | Crystal structure of LC3 in complex with TECPR2 LIR | Descriptor: | Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION | Authors: | Stadel, D, Huber, J, Dotsch, V, Rogov, V.V, Behrends, C, Akutsu, M. | Deposit date: | 2015-08-24 | Release date: | 2016-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | TECPR2 Cooperates with LC3C to Regulate COPII-Dependent ER Export. Mol.Cell, 60, 2015
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6QII
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![BU of 6qii by Molmil](/molmil-images/mine/6qii) | Xenon derivatization of the F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri | Descriptor: | (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit alpha, Coenzyme F420 hydrogenase subunit beta, ... | Authors: | Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H. | Deposit date: | 2019-01-19 | Release date: | 2019-10-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases. Angew.Chem.Int.Ed.Engl., 58, 2019
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6QGT
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![BU of 6qgt by Molmil](/molmil-images/mine/6qgt) | The carbon monoxide inhibition of F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit beta, ... | Authors: | Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H. | Deposit date: | 2019-01-12 | Release date: | 2019-10-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.988 Å) | Cite: | X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases. Angew.Chem.Int.Ed.Engl., 58, 2019
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6QGR
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![BU of 6qgr by Molmil](/molmil-images/mine/6qgr) | The F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri at the Nia-S state | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit alpha, ... | Authors: | Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H. | Deposit date: | 2019-01-12 | Release date: | 2019-10-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.839 Å) | Cite: | X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases. Angew.Chem.Int.Ed.Engl., 58, 2019
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1DNY
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![BU of 1dny by Molmil](/molmil-images/mine/1dny) | SOLUTION STRUCTURE OF PCP, A PROTOTYPE FOR THE PEPTIDYL CARRIER DOMAINS OF MODULAR PEPTIDE SYNTHETASES | Descriptor: | NON-RIBOSOMAL PEPTIDE SYNTHETASE PEPTIDYL CARRIER PROTEIN | Authors: | Weber, T, Baumgartner, R, Renner, C, Marahiel, M.A, Holak, T.A. | Deposit date: | 1999-12-17 | Release date: | 2000-05-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of PCP, a prototype for the peptidyl carrier domains of modular peptide synthetases. Structure Fold.Des., 8, 2000
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3ZQG
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![BU of 3zqg by Molmil](/molmil-images/mine/3zqg) | Structure of Tetracycline repressor in complex with antiinducer peptide-TAP2 | Descriptor: | ANTI-INDUCER PEPTIDE TAP2, TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN10, TETRACYCLINE REPRESSOR PROTEIN CLASS D | Authors: | Sevvana, M, Goeke, D, Stoeckle, C, Kaspar, D, Grubmueller, S, Goetz, C, Wimmer, C, Berens, C, Klotzsche, M, Muller, Y.A, Hillen, W. | Deposit date: | 2011-06-09 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | An Exclusive Alpha/Beta Code Directs Allostery in Tetr-Peptide Complexes. J.Mol.Biol., 416, 2012
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3ZQF
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![BU of 3zqf by Molmil](/molmil-images/mine/3zqf) | Structure of Tetracycline repressor in complex with antiinducer peptide-TAP1 | Descriptor: | ANTI-INDUCER PEPTIDE TAP1, TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN10, TETRACYCLINE REPRESSOR PROTEIN CLASS D | Authors: | Sevvana, M, Goeke, D, Stoeckle, C, Kaspar, D, Grubmueller, S, Goetz, C, Wimmer, C, Berens, C, Klotzsche, M, Muller, Y.A, Hillen, W. | Deposit date: | 2011-06-09 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | An Exclusive Alpha/Beta Code Directs Allostery in Tetr-Peptide Complexes. J.Mol.Biol., 416, 2012
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3ZQI
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![BU of 3zqi by Molmil](/molmil-images/mine/3zqi) | Structure of Tetracycline repressor in complex with inducer peptide- TIP2 | Descriptor: | 1,2-ETHANEDIOL, INDUCER PEPTIDE TIP2, MAGNESIUM ION, ... | Authors: | Sevvana, M, Goeke, D, Stoeckle, C, Kaspar, D, Grubmueller, S, Goetz, C, Wimmer, C, Berens, C, Klotzsche, M, Muller, Y.A, Hillen, W. | Deposit date: | 2011-06-09 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | An Exclusive Alpha/Beta Code Directs Allostery in Tetr-Peptide Complexes. J.Mol.Biol., 416, 2012
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