8RCB
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![BU of 8rcb by Molmil](/molmil-images/mine/8rcb) | W-formate dehydrogenase from Desulfovibrio vulgaris - Co-crystallized with Formate and Reoxidized by exposure to air (in a not degassed drop) for 34 min in the presence of Formate | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Vilela-Alves, G, Manuel, R.R, Pereira, I.C, Romao, M.J, Mota, C. | Deposit date: | 2023-12-06 | Release date: | 2024-07-24 | Last modified: | 2024-08-28 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Substrate-dependent oxidative inactivation of a W-dependent formate dehydrogenase involving selenocysteine displacement. Chem Sci, 15, 2024
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6PGA
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7KJ8
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![BU of 7kj8 by Molmil](/molmil-images/mine/7kj8) | Wild-type epi-isozizaene synthase: complex with 3 Mg2+ and pamidronate | Descriptor: | MAGNESIUM ION, PAMIDRONATE, SULFATE ION, ... | Authors: | Ronnebaum, T.A, Gardner, S.M, Christianson, D.W. | Deposit date: | 2020-10-26 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways. Biochemistry, 59, 2020
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6JGT
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![BU of 6jgt by Molmil](/molmil-images/mine/6jgt) | Crystal structure of barley exohydrolaseI W434Y mutant in complex with methyl 6-thio-beta-gentiobioside. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | Deposit date: | 2019-02-14 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
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8RCA
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![BU of 8rca by Molmil](/molmil-images/mine/8rca) | W-formate dehydrogenase from Desulfovibrio vulgaris - Co-crystallized with Formate and Reoxidized by exposure to air for 1 h in the absence of Formate | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Formate dehydrogenase, ... | Authors: | Vilela-Alves, G, Manuel, R.R, Pereira, I.C, Romao, M.J, Mota, C. | Deposit date: | 2023-12-06 | Release date: | 2024-07-24 | Last modified: | 2024-08-28 | Method: | X-RAY DIFFRACTION (1.664 Å) | Cite: | Substrate-dependent oxidative inactivation of a W-dependent formate dehydrogenase involving selenocysteine displacement. Chem Sci, 15, 2024
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6PJ8
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6BFH
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5U99
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![BU of 5u99 by Molmil](/molmil-images/mine/5u99) | Transition state analysis of adenosine triphosphate phosphoribosyltransferase | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, MAGNESIUM ION, ... | Authors: | Moggre, G.-J, Poulin, M.B, Tyler, P.C, Schramm, V.L, Parker, E.J. | Deposit date: | 2016-12-15 | Release date: | 2017-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Transition State Analysis of Adenosine Triphosphate Phosphoribosyltransferase. ACS Chem. Biol., 12, 2017
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6YGJ
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6EUF
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![BU of 6euf by Molmil](/molmil-images/mine/6euf) | The GH43, Beta 1,3 Galactosidase, BT0265 | Descriptor: | Beta-glucanase, alpha-L-arabinofuranose-(1-3)-[alpha-L-arabinofuranose-(1-4)][beta-D-glucopyranuronic acid-(1-6)]beta-D-galactopyranose-(1-6)-beta-D-galactopyranose, alpha-L-rhamnopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-6)-[alpha-L-arabinofuranose-(1-3)][alpha-L-arabinofuranose-(1-4)]beta-D-galactopyranose-(1-6)-beta-D-galactopyranose | Authors: | Cartmell, A, Gilbert, H.J. | Deposit date: | 2017-10-30 | Release date: | 2018-10-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation. Nat Microbiol, 3, 2018
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7KJA
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7PJM
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![BU of 7pjm by Molmil](/molmil-images/mine/7pjm) | Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and Ca2+/2-Oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J. | Deposit date: | 2021-08-24 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors. Nat Commun, 13, 2022
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8QID
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7ZUO
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6PJP
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6JHU
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![BU of 6jhu by Molmil](/molmil-images/mine/6jhu) | Crystal Structure Of Biotin Protein Ligase From Leishmania Major in complex with Biotinyl-5-AMP | Descriptor: | BIOTINYL-5-AMP, Biotin/lipoate protein ligase-like protein, SULFATE ION | Authors: | Rajak, M, Patel, A, Sundd, M. | Deposit date: | 2019-02-19 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Leishmania major biotin protein ligase forms a unique cross-handshake dimer Acta Crystallogr.,Sect.D, 77, 2021
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7ZMY
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![BU of 7zmy by Molmil](/molmil-images/mine/7zmy) | Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the ground state at pH 8.2 in the presence of sodium at 100K | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, OLEIC ACID, ... | Authors: | Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V. | Deposit date: | 2022-04-20 | Release date: | 2023-05-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanisms of inward transmembrane proton translocation. Nat.Struct.Mol.Biol., 30, 2023
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7ZVZ
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7Q5D
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![BU of 7q5d by Molmil](/molmil-images/mine/7q5d) | Structure of EPCR in a non-canonical conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Endothelial protein C receptor, ... | Authors: | Lopez-Sagaseta, J, Erausquin, E. | Deposit date: | 2021-11-03 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of EPCR in a non-canonical conformation Biorxiv, 2021
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7KK4
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![BU of 7kk4 by Molmil](/molmil-images/mine/7kk4) | Structure of the catalytic domain of PARP1 in complex with olaparib | Descriptor: | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase 1 | Authors: | Gajiwala, K.S, Ryan, K. | Deposit date: | 2020-10-27 | Release date: | 2021-01-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1. J.Biol.Chem., 296, 2021
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7ZN0
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![BU of 7zn0 by Molmil](/molmil-images/mine/7zn0) | Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the M state at pH 8.2 in the presence of sodium at 100K | Descriptor: | EICOSANE, OLEIC ACID, PHOSPHATE ION, ... | Authors: | Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V. | Deposit date: | 2022-04-20 | Release date: | 2023-05-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanisms of inward transmembrane proton translocation. Nat.Struct.Mol.Biol., 30, 2023
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5G1B
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![BU of 5g1b by Molmil](/molmil-images/mine/5g1b) | Bordetella Alcaligenes HDAH native | Descriptor: | DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, PENTAETHYLENE GLYCOL, ... | Authors: | Kraemer, A, Meyer-Almes, F.J, Yildiz, O. | Deposit date: | 2016-03-24 | Release date: | 2017-04-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The thermodynamic signature of ligand binding to histone deacetylase-like amidohydrolases is most sensitive to the flexibility in the L2-loop lining the active site pocket. Biochim. Biophys. Acta, 1861, 2017
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7PVT
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7ZN3
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![BU of 7zn3 by Molmil](/molmil-images/mine/7zn3) | Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the L state at pH 8.2 in the presence of sodium at 100K | Descriptor: | EICOSANE, OLEIC ACID, PHOSPHATE ION, ... | Authors: | Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V. | Deposit date: | 2022-04-20 | Release date: | 2023-05-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mechanisms of inward transmembrane proton translocation. Nat.Struct.Mol.Biol., 30, 2023
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7ZN9
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![BU of 7zn9 by Molmil](/molmil-images/mine/7zn9) | Crystal structure of the light-driven inward proton pump xenorhodopsin BcXeR in the M state at pH 7.0 in the presence of sodium at 100K | Descriptor: | EICOSANE, OLEIC ACID, PHOSPHATE ION, ... | Authors: | Kovalev, K, Tsybrov, F, Alekseev, A, Bourenkov, G, Gordeliy, V. | Deposit date: | 2022-04-20 | Release date: | 2023-05-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanisms of inward transmembrane proton translocation. Nat.Struct.Mol.Biol., 30, 2023
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