4RPK
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![BU of 4rpk by Molmil](/molmil-images/mine/4rpk) | Crystal structure of Micobacterium tuberculosis UDP-Galactopyranose mutase in complex with tetrafluorinated substrate analog UDP-F4-Galf | Descriptor: | (2R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,3,4,4-tetrafluorotetrahydrofuran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase | Authors: | Van Straaten, K.E, Sanders, D.A.R. | Deposit date: | 2014-10-30 | Release date: | 2015-01-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Basis of Ligand Binding to UDP-Galactopyranose Mutase from Mycobacterium tuberculosis Using Substrate and Tetrafluorinated Substrate Analogues. J.Am.Chem.Soc., 137, 2015
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4RPH
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4RPL
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![BU of 4rpl by Molmil](/molmil-images/mine/4rpl) | Crystal structure of Micobacterium tuberculosis UDP-Galactopyranose mutase in complex with tetrafluorinated substrate analog UDP-F4-Galp | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase, [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,5S,6R)-3,3,4,4-tetrafluoro-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) | Authors: | Van Straaten, K.E, Sanders, D.A.R. | Deposit date: | 2014-10-30 | Release date: | 2015-01-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2499 Å) | Cite: | Structural Basis of Ligand Binding to UDP-Galactopyranose Mutase from Mycobacterium tuberculosis Using Substrate and Tetrafluorinated Substrate Analogues. J.Am.Chem.Soc., 137, 2015
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4RPG
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8RSA
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8BJK
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![BU of 8bjk by Molmil](/molmil-images/mine/8bjk) | X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor CPD11352 | Descriptor: | Histone deacetylase 6, POTASSIUM ION, ZINC ION, ... | Authors: | Barinka, C, Motlova, L, Pavlicek, J. | Deposit date: | 2022-11-04 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Comprehensive Mechanistic View of the Hydrolysis of Oxadiazole-Based Inhibitors by Histone Deacetylase 6 (HDAC6). Acs Chem.Biol., 18, 2023
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7ZNM
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![BU of 7znm by Molmil](/molmil-images/mine/7znm) | Artificial Unspecific Peroxygenase expressed in Pichia pastoris at 2.01 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Artificial Unspecific Peroxygenase, ... | Authors: | Robinson, W.X.Q, Mielke, T, Grogan, G. | Deposit date: | 2022-04-21 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli. Chembiochem, 24, 2023
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7ZNV
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![BU of 7znv by Molmil](/molmil-images/mine/7znv) | Artificial Unspecific Peroxygenase expressed in Pichia pastoris at 1.21 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | Authors: | Robinson, W.X.Q, Mielke, T, Grogan, G. | Deposit date: | 2022-04-22 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli. Chembiochem, 24, 2023
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7ZNW
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8H7E
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![BU of 8h7e by Molmil](/molmil-images/mine/8h7e) | Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) at 2.0 angstrom resolution | Descriptor: | ACETATE ION, De novo ferric enterobactin esterase Syn-F4 | Authors: | Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R. | Deposit date: | 2022-10-19 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4. Proc.Natl.Acad.Sci.USA, 120, 2023
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8H7C
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![BU of 8h7c by Molmil](/molmil-images/mine/8h7c) | Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) - Pt derivative | Descriptor: | ACETATE ION, CHLORIDE ION, De novo ferric enterobactin esterase Syn-F4, ... | Authors: | Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R. | Deposit date: | 2022-10-19 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4. Proc.Natl.Acad.Sci.USA, 120, 2023
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8H7D
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![BU of 8h7d by Molmil](/molmil-images/mine/8h7d) | Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) | Descriptor: | ACETATE ION, De novo ferric enterobactin esterase Syn-F4 | Authors: | Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R. | Deposit date: | 2022-10-19 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4. Proc.Natl.Acad.Sci.USA, 120, 2023
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7AVQ
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![BU of 7avq by Molmil](/molmil-images/mine/7avq) | Crystal structure of haspin in complex with disubstituted imidazo[1,2- b]pyridazine inhibitor (compound 12) | Descriptor: | (2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, ... | Authors: | Chaikuad, A, Bonnet, P, Routier, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-11-05 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Design of new disubstituted imidazo[1,2- b ]pyridazine derivatives as selective Haspin inhibitors. Synthesis, binding mode and anticancer biological evaluation. J Enzyme Inhib Med Chem, 35, 2020
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7RSA
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1GSE
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1GSF
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![BU of 1gsf by Molmil](/molmil-images/mine/1gsf) | GLUTATHIONE TRANSFERASE A1-1 COMPLEXED WITH ETHACRYNIC ACID | Descriptor: | ETHACRYNIC ACID, GLUTATHIONE TRANSFERASE A1-1 | Authors: | L'Hermite, G, Sinning, I, Cameron, A.D, Jones, T.A. | Deposit date: | 1995-06-09 | Release date: | 1995-09-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural analysis of human alpha-class glutathione transferase A1-1 in the apo-form and in complexes with ethacrynic acid and its glutathione conjugate. Structure, 3, 1995
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8ELL
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![BU of 8ell by Molmil](/molmil-images/mine/8ell) | Apo human biliverdin reductase beta (cryogenic) | Descriptor: | Flavin reductase (NADPH), SODIUM ION | Authors: | McLeod, M.J, Eisenmesser, E.Z, Lee, E, Thorne, R.E. | Deposit date: | 2022-09-26 | Release date: | 2023-09-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Identifying structural and dynamic changes during the Biliverdin Reductase B catalytic cycle. Front Mol Biosci, 10, 2023
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8ELM
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![BU of 8elm by Molmil](/molmil-images/mine/8elm) | Apo human biliverdin reductase beta (293K) | Descriptor: | Flavin reductase (NADPH), SODIUM ION | Authors: | McLeod, M.J, Eisenmesser, E.Z, Lee, E, Thorne, R.E. | Deposit date: | 2022-09-26 | Release date: | 2023-09-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Identifying structural and dynamic changes during the Biliverdin Reductase B catalytic cycle. Front Mol Biosci, 10, 2023
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1GSD
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8PYX
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8PPP
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8PYY
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8R56
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6BY8
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![BU of 6by8 by Molmil](/molmil-images/mine/6by8) | Menin in complex with MI-1482 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-1-{[(2R)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Borkin, T, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2017-12-20 | Release date: | 2018-11-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Complexity of Blocking Bivalent Protein-Protein Interactions: Development of a Highly Potent Inhibitor of the Menin-Mixed-Lineage Leukemia Interaction. J.Med.Chem., 61, 2018
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5D6S
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![BU of 5d6s by Molmil](/molmil-images/mine/5d6s) | Structure of epoxyqueuosine reductase from Streptococcus thermophilus. | Descriptor: | COBALAMIN, Epoxyqueuosine reductase, IRON/SULFUR CLUSTER | Authors: | Payne, K.A.P, Fisher, K, Dunstan, M.S, Sjuts, H, Leys, D. | Deposit date: | 2015-08-12 | Release date: | 2015-09-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Epoxyqueuosine Reductase Structure Suggests a Mechanism for Cobalamin-dependent tRNA Modification. J.Biol.Chem., 290, 2015
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