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6QGT
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BU of 6qgt by Molmil
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
6QGR
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BU of 6qgr by Molmil
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
5WLI
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BU of 5wli by Molmil
Crystal Structure of H-2Db with the GAP501 peptide (SQL)
Descriptor: Beta-2-microglobulin, GAP50 peptide, H-2 class I histocompatibility antigen, ...
Authors:Gras, S, Farenc, C, Josephs, T, Rossjohn, J.
Deposit date:2017-07-27
Release date:2017-11-15
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A T Cell Receptor Locus Harbors a Malaria-Specific Immune Response Gene.
Immunity, 47, 2017
4AH6
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BU of 4ah6 by Molmil
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
5W1W
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BU of 5w1w by Molmil
Structure of the HLA-E-VMAPRTLVL/GF4 TCR complex
Descriptor: Beta-2-microglobulin, GF4 T cell receptor alpha chain, GF4 T cell receptor beta chain, ...
Authors:Gras, S, Walpole, N, Farenc, C, Rossjohn, J.
Deposit date:2017-06-05
Release date:2017-10-04
Last modified:2018-01-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A conserved energetic footprint underpins recognition of human leukocyte antigen-E by two distinct alpha beta T cell receptors.
J. Biol. Chem., 292, 2017
6FDG
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BU of 6fdg by Molmil
Novel crystal structure of DHNA-CoA Thioesterase from Staphylococcus aureus
Descriptor: 4-hydroxybenzoyl-CoA thioesterase
Authors:Murad, A.M, Betzel, C, Wrenger, C.
Deposit date:2017-12-22
Release date:2018-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Novel crystal structure of DHNA-CoA Thioesterase from Staphylococcus aureus
To Be Published
4IOS
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BU of 4ios by Molmil
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
4XC2
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BU of 4xc2 by Molmil
Crystal structure of GABARAP in complex with KBTBD6 LIR peptide
Descriptor: GABA(A) receptor-associated protein, Kelch repeat and BTB domain-containing protein 6
Authors:Huber, J, Genau, H.M, Baschieri, F, Doetsch, V, Farhan, H, Rogov, V.V, Behrends, C, Akutsu, M.
Deposit date:2014-12-17
Release date:2015-03-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:CUL3-KBTBD6/KBTBD7 Ubiquitin Ligase Cooperates with GABARAP Proteins to Spatially Restrict TIAM1-RAC1 Signaling.
Mol.Cell, 57, 2015
4HEP
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BU of 4hep by Molmil
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
4HEM
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BU of 4hem by Molmil
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
7RX0
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BU of 7rx0 by Molmil
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
5ILN
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BU of 5iln by Molmil
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
5ILQ
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BU of 5ilq by Molmil
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
6FBA
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BU of 6fba by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 2,3-naphthalenediol
Descriptor: Aspartate transcarbamoylase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Lunev, S, Bosch, S.S, Batista, F.A, Wang, C, Wrenger, C, Groves, M.R.
Deposit date:2017-12-18
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a non-competitive inhibitor of Plasmodium falciparum aspartate transcarbamoylase.
Biochem. Biophys. Res. Commun., 497, 2018
5FTO
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BU of 5fto by Molmil
Crystal structure of the ALK kinase domain in complex with Entrectinib
Descriptor: ALK TYROSINE KINASE RECEPTOR, Entrectinib
Authors:Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P.
Deposit date:2016-01-14
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59, 2016
7SG0
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BU of 7sg0 by Molmil
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
7SG1
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BU of 7sg1 by Molmil
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
7SG2
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BU of 7sg2 by Molmil
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
5FTQ
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BU of 5ftq by Molmil
Crystal structure of the ALK kinase domain in complex with Cmpd 17
Descriptor: ALK TYROSINE KINASE RECEPTOR, GLYCEROL, N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-2-[(4-HYDROXYCYCLOHEXYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL) BENZAMIDE
Authors:Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P.
Deposit date:2016-01-14
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59, 2016
6G90
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BU of 6g90 by Molmil
Prespliceosome structure provides insight into spliceosome assembly and regulation (map A2)
Descriptor: 56 kDa U1 small nuclear ribonucleoprotein component, Cold sensitive U2 snRNA suppressor 1, Pre-mRNA-processing factor 39, ...
Authors:Plaschka, C, Lin, P.-C, Charenton, C, Nagai, K.
Deposit date:2018-04-10
Release date:2018-08-22
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Prespliceosome structure provides insights into spliceosome assembly and regulation.
Nature, 559, 2018
7ZJF
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BU of 7zjf by Molmil
R399E, a mutated form of GDF5, for disease modification of osteoarthritis
Descriptor: Growth/differentiation factor 5
Authors:Gigout, A, Wekmann, D, Menges, S, Brenneis, C, Henson, F, Cowan, K.J, Musil, D, Thudium, C, Guehring, H, Michaelis, M, Kleinschmidt-Doerr, K.
Deposit date:2022-04-10
Release date:2022-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:R399E, A Mutated Form of Growth and Differentiation Factor 5, for Disease Modification of Osteoarthritis.
Arthritis Rheumatol, 75, 2023
3ZQF
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BU of 3zqf by Molmil
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
3ZQI
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BU of 3zqi by Molmil
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
3ZQG
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BU of 3zqg by Molmil
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
3ZQH
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BU of 3zqh by Molmil
Structure of Tetracycline repressor in complex with inducer peptide- TIP3
Descriptor: 1,2-ETHANEDIOL, INDUCER PEPTIDE TIP3, TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN10, ...
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 (1.6 Å)
Cite:An Exclusive Alpha/Beta Code Directs Allostery in Tetr-Peptide Complexes.
J.Mol.Biol., 416, 2012

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