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1E63
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Ferredoxin:NADP+ Reductase Mutant with LYS 75 Replaced by SER (K75S)
分子名称: FERREDOXIN-NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
著者Hermoso, J.A, Mayoral, T, Medina, M, Gomez-Moreno, C.
登録日2000-08-07
公開日2001-05-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Analysis of Interactions for Complex Formation between Ferredoxin-Nadp+ Reductase and its Protein Partners.
Proteins, 59, 2005
6S4A
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Structure of human MTHFD2 in complex with TH9028
分子名称: (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, ...
著者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.
登録日2019-06-27
公開日2021-07-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
6S4F
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Structure of human MTHFD2 in complex with TH9619
分子名称: (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, ...
著者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.
登録日2019-06-27
公開日2021-07-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
6S4E
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Structure of human MTHFD2 in complex with TH7299
分子名称: (2S)-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]pentanedioic acid, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ...
著者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.
登録日2019-06-27
公開日2021-07-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pharmacological targeting of MTHFD2 suppresses acute myeloid leukemia by inducing thymidine depletion and replication stress.
Nat Cancer, 3, 2022
6FDG
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Novel crystal structure of DHNA-CoA Thioesterase from Staphylococcus aureus
分子名称: 4-hydroxybenzoyl-CoA thioesterase
著者Murad, A.M, Betzel, C, Wrenger, C.
登録日2017-12-22
公開日2018-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Novel crystal structure of DHNA-CoA Thioesterase from Staphylococcus aureus
To Be Published
6FBA
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Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 2,3-naphthalenediol
分子名称: Aspartate transcarbamoylase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Lunev, S, Bosch, S.S, Batista, F.A, Wang, C, Wrenger, C, Groves, M.R.
登録日2017-12-18
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of a non-competitive inhibitor of Plasmodium falciparum aspartate transcarbamoylase.
Biochem. Biophys. Res. Commun., 497, 2018
1F32
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CRYSTAL STRUCTURE OF ASCARIS PEPSIN INHIBITOR-3
分子名称: MAJOR PEPSIN INHIBITOR PI-3
著者Ng, K.K, Petersen, J.F, Cherney, M.M, Garen, C, James, M.N.
登録日2000-05-31
公開日2001-02-01
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for the inhibition of porcine pepsin by Ascaris pepsin inhibitor-3.
Nat.Struct.Biol., 7, 2000
1F34
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CRYSTAL STRUCTURE OF ASCARIS PEPSIN INHIBITOR-3 BOUND TO PORCINE PEPSIN
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, MAJOR PEPSIN INHIBITOR PI-3, PEPSIN A
著者Ng, K.K, Petersen, J.F, Cherney, M.M, Garen, C, James, M.N.
登録日2000-05-31
公開日2001-02-01
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural basis for the inhibition of porcine pepsin by Ascaris pepsin inhibitor-3.
Nat.Struct.Biol., 7, 2000
4AH6
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Human mitochondrial aspartyl-tRNA synthetase
分子名称: ASPARTATE--TRNA LIGASE, MITOCHONDRIAL
著者Neuenfeldt, A, Sissler, M, Lorber, B, Florentz, C, Sauter, C.
登録日2012-02-03
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Thermodynamic Properties Distinguish Human Mitochondrial Aspartyl-tRNA Synthetase from Bacterial Homolog with Same 3D Architecture
Nucleic Acids Res., 41, 2013
4HEP
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BU of 4hep by Molmil
Complex of lactococcal phage TP901-1 with a llama vHH (vHH17) binder (nanobody)
分子名称: BPP, SULFATE ION, vHH17 domain
著者Desmyter, A, Spinelli, S, Farenc, C, Blangy, S, Bebeacua, C, van Sinderen, D, Mahony, J, Cambillau, C.
登録日2012-10-04
公開日2013-03-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Viral infection modulation and neutralization by camelid nanobodies
Proc.Natl.Acad.Sci.USA, 110, 2013
4HEM
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BU of 4hem by Molmil
Llama vHH-02 binder of ORF49 (RBP) from lactococcal phage TP901-1
分子名称: Anti-baseplate TP901-1 Llama vHH 02, BPP
著者Desmyter, A, Spinelli, S, Farenc, C, Blangy, S, Bebeacua, C, van Sinderen, D, Mahony, J, Cambillau, C.
登録日2012-10-04
公開日2013-03-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Viral infection modulation and neutralization by camelid nanobodies
Proc.Natl.Acad.Sci.USA, 110, 2013
5ILN
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Crystal structure of Aspartate Transcarbamoylase from Plasmodium falciparum (PfATC) with bound citrate
分子名称: Aspartate carbamoyltransferase, CITRATE ANION, GLYCEROL, ...
著者Lunev, S, Bosch, S.S, Batista, F.D.A, Wrenger, C, Groves, M.R.
登録日2016-03-04
公開日2017-03-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of truncated Aspartate Transcarbamoylase from Plasmodium falciparum
To be published
7ZJF
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R399E, a mutated form of GDF5, for disease modification of osteoarthritis
分子名称: Growth/differentiation factor 5
著者Gigout, A, Wekmann, D, Menges, S, Brenneis, C, Henson, F, Cowan, K.J, Musil, D, Thudium, C, Guehring, H, Michaelis, M, Kleinschmidt-Doerr, K.
登録日2022-04-10
公開日2022-09-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献R399E, A Mutated Form of Growth and Differentiation Factor 5, for Disease Modification of Osteoarthritis.
Arthritis Rheumatol, 75, 2023
5ILQ
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Crystal structure of truncated unliganded Aspartate Transcarbamoylase from Plasmodium falciparum
分子名称: Aspartate carbamoyltransferase, GLYCEROL, SULFATE ION
著者Lunev, S, Bosch, S.S, Batista, F.D.A, Wrenger, C, Groves, M.R.
登録日2016-03-04
公開日2016-06-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of truncated aspartate transcarbamoylase from Plasmodium falciparum.
Acta Crystallogr.,Sect.F, 72, 2016
7RX0
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Complex of AMPPNP-Kif7 and Gli2 Zinc-Finger domain bound to microtubules
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF7, MAGNESIUM ION, ...
著者Mani, N, Wilson-Kubalek, E.M, Haque, F, Freniere, C, Milligan, R.A, Subramanian, R.
登録日2021-08-20
公開日2022-06-15
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Cytoskeletal regulation of a transcription factor by DNA mimicry via coiled-coil interactions.
Nat.Cell Biol., 24, 2022
7SG0
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W316 TCR in complex with HLA-DQ2-omega1
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DQ2-glia-omega1 peptide, ...
著者Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J.
登録日2021-10-04
公開日2022-02-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
7SG1
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XPA5 TCR in complex with HLA-DQ2-alpha1
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J.
登録日2021-10-04
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献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
7SG2
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XPA5 TCR in complex with HLA-DQ2-omega1
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Ciacchi, L, Farenc, C, Petersen, J, Reid, H.H, Rossjohn, J.
登録日2021-10-04
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献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
6FSD
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Mus musculus acetylcholinesterase in complex with 2-(4-Biphenylyloxy)-N-[3-(1-piperidinyl)propyl]-acetamide hydrochloride (10)
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide, ...
著者Knutsson, S, Engdahl, C, Kumari, R, Kindahl, T, Forsgren, N, Lindgren, C, Kitur, S, Kamau, L, Ekstrom, F, Linusson, A.
登録日2018-02-19
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency.
J.Med.Chem., 61, 2018
1DNY
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SOLUTION STRUCTURE OF PCP, A PROTOTYPE FOR THE PEPTIDYL CARRIER DOMAINS OF MODULAR PEPTIDE SYNTHETASES
分子名称: NON-RIBOSOMAL PEPTIDE SYNTHETASE PEPTIDYL CARRIER PROTEIN
著者Weber, T, Baumgartner, R, Renner, C, Marahiel, M.A, Holak, T.A.
登録日1999-12-17
公開日2000-05-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of PCP, a prototype for the peptidyl carrier domains of modular peptide synthetases.
Structure Fold.Des., 8, 2000
6QII
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Xenon derivatization of the F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri
分子名称: (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit alpha, Coenzyme F420 hydrogenase subunit beta, ...
著者Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H.
登録日2019-01-19
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases.
Angew.Chem.Int.Ed.Engl., 58, 2019
6QGT
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The carbon monoxide inhibition of F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit beta, ...
著者Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H.
登録日2019-01-12
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.988 Å)
主引用文献X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases.
Angew.Chem.Int.Ed.Engl., 58, 2019
6QGR
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The F420-reducing [NiFe] hydrogenase complex from Methanosarcina barkeri at the Nia-S state
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, Coenzyme F420 hydrogenase subunit alpha, ...
著者Ilina, Y, Lorent, C, Katz, S, Jeoung, J.H, Shima, S, Horch, M, Zebger, I, Dobbek, H.
登録日2019-01-12
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.839 Å)
主引用文献X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases.
Angew.Chem.Int.Ed.Engl., 58, 2019
1ELZ
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E. COLI ALKALINE PHOSPHATASE MUTANT (S102G)
分子名称: ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Stec, B, Hehir, M, Brennan, C, Nolte, M, Kantrowitz, E.R.
登録日1998-02-10
公開日1998-05-27
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Kinetic and X-ray structural studies of three mutant E. coli alkaline phosphatases: insights into the catalytic mechanism without the nucleophile Ser102.
J.Mol.Biol., 277, 1998
1ELY
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E. COLI ALKALINE PHOSPHATASE MUTANT (S102C)
分子名称: ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Stec, B, Hehir, M, Brennan, C, Nolte, M, Kantrowitz, E.R.
登録日1998-02-10
公開日1998-05-27
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Kinetic and X-ray structural studies of three mutant E. coli alkaline phosphatases: insights into the catalytic mechanism without the nucleophile Ser102.
J.Mol.Biol., 277, 1998

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