6VS5
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![BU of 6vs5 by Molmil](/molmil-images/mine/6vs5) | Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (fragment 1) | 分子名称: | 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | 著者 | Ribeiro, J.A, Tyrakis, P, Blundell, T, Dias, M.V.B. | 登録日 | 2020-02-10 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.758 Å) | 主引用文献 | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6VVB
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![BU of 6vvb by Molmil](/molmil-images/mine/6vvb) | Mycobacterium tuberculosis dihydrofolate reductase in complex with 6-methyl-5-(4-phenylthiazol-2-yl)-2- (trifluoromethyl)nicotinic acid (fragment 10) | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid, Dihydrofolate reductase, ... | 著者 | Tyrakis, P, Dias, M.V.B. | 登録日 | 2020-02-17 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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1H1B
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![BU of 1h1b by Molmil](/molmil-images/mine/1h1b) | Crystal structure of human neutrophil elastase complexed with an inhibitor (GW475151) | 分子名称: | (2S)-3-METHYL-2-((2R,3S)-3-[(METHYLSULFONYL)AMINO]-1-{[2-(PYRROLIDIN-1-YLMETHYL)-1,3-OXAZOL-4-YL]CARBONYL}PYRROLIDIN-2-YL)BUTANOIC ACID, LEUKOCYTE ELASTASE, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Macdonald, S.J.F, Dowle, M.D, Harrison, L.A, Clarke, G.D.E, Inglis, G.G.A, Johnson, M.R, Smith, R.A, Amour, A, Fleetwood, G, Humphreys, D.C, Molloy, C.R, Dixon, M, Godward, R.E, Wonacott, A.J, Singh, O.M.P, Hodgson, S.T, Hardy, G.W. | 登録日 | 2002-07-05 | 公開日 | 2002-08-29 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Further Pyrrolidine Trans-Lactams as Inhibitors of Human Neutrophil Elastase (Hne) with Potential as Development Candidates and the Crystal Structure of Hne Complexed with an Inhibitor (Gw475151) J.Med.Chem., 45, 2002
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1K21
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![BU of 1k21 by Molmil](/molmil-images/mine/1k21) | HUMAN THROMBIN-INHIBITOR COMPLEX | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, Prothrombin, ... | 著者 | Stubbs, M.T, Musil, D. | 登録日 | 2001-09-26 | 公開日 | 2002-05-08 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition. J.Mol.Biol., 313, 2001
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6VV9
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![BU of 6vv9 by Molmil](/molmil-images/mine/6vv9) | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB300 | 分子名称: | 5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | 著者 | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | 登録日 | 2020-02-17 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6VS8
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![BU of 6vs8 by Molmil](/molmil-images/mine/6vs8) | |
5NND
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![BU of 5nnd by Molmil](/molmil-images/mine/5nnd) | Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H3K9ac/K14ac) | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Histone H3 | 著者 | Filippakopoulos, P, Picaud, S, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | 登録日 | 2017-04-08 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
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1L0R
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![BU of 1l0r by Molmil](/molmil-images/mine/1l0r) | |
1L5P
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![BU of 1l5p by Molmil](/molmil-images/mine/1l5p) | Crystal Structure of Trichomonas vaginalis Ferredoxin | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, ferredoxin | 著者 | Crossnoe, C.R, Germanas, J.P, Le Magueres, P, Mustata, G, Krause, K.L. | 登録日 | 2002-03-07 | 公開日 | 2002-08-21 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The crystal structure of Trichomonas vaginalis ferredoxin provides insight into metronidazole activation. J.Mol.Biol., 318, 2002
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1KBQ
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![BU of 1kbq by Molmil](/molmil-images/mine/1kbq) | Complex of Human NAD(P)H quinone Oxidoreductase with 5-methoxy-1,2-dimethyl-3-(4-nitrophenoxymethyl)indole-4,7-dione (ES936) | 分子名称: | 5-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-4,7-DIONE, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | 著者 | Faig, M, Bianchet, M.A, Amzel, L.M. | 登録日 | 2001-11-06 | 公開日 | 2002-01-16 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Characterization of a mechanism-based inhibitor of NAD(P)H:quinone oxidoreductase 1 by biochemical, X-ray crystallographic, and mass spectrometric approaches. Biochemistry, 40, 2001
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6QTK
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![BU of 6qtk by Molmil](/molmil-images/mine/6qtk) | 2.31A structure of gepotidacin with S.aureus DNA gyrase and doubly nicked DNA | 分子名称: | (3~{R})-3-[[4-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit A, ... | 著者 | Bax, B.D. | 登録日 | 2019-02-25 | 公開日 | 2019-03-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Mechanistic and Structural Basis for the Actions of the Antibacterial Gepotidacin against Staphylococcus aureus Gyrase. Acs Infect Dis., 5, 2019
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1GP5
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![BU of 1gp5 by Molmil](/molmil-images/mine/1gp5) | Anthocyanidin synthase from Arabidopsis thaliana complexed with trans-dihydroquercetin | 分子名称: | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, (2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Wilmouth, R.C, Turnbull, J.J, Welford, R.W.D, Clifton, I.J, Prescott, A.G, Schofield, C.J. | 登録日 | 2001-10-30 | 公開日 | 2002-02-21 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure and Mechanism of Anthocyanidin Synthase from Arabidopsis Thaliana. Structure, 10, 2002
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5LEX
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![BU of 5lex by Molmil](/molmil-images/mine/5lex) | Native human 20S proteasome in Mg-Acetate at 2.2 Angstrom | 分子名称: | MAGNESIUM ION, PENTAETHYLENE GLYCOL, POTASSIUM ION, ... | 著者 | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | 登録日 | 2016-06-30 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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1K9Y
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![BU of 1k9y by Molmil](/molmil-images/mine/1k9y) | The PAPase Hal2p complexed with magnesium ions and reaction products: AMP and inorganic phosphate | 分子名称: | ADENOSINE MONOPHOSPHATE, BETA-MERCAPTOETHANOL, Halotolerance protein HAL2, ... | 著者 | Patel, S, Albert, A, Blundell, T.L. | 登録日 | 2001-10-31 | 公開日 | 2001-11-07 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural enzymology of Li(+)-sensitive/Mg(2+)-dependent phosphatases. J.Mol.Biol., 320, 2002
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6QTP
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![BU of 6qtp by Molmil](/molmil-images/mine/6qtp) | 2.37A structure of gepotidacin with S.aureus DNA gyrase and uncleaved DNA | 分子名称: | (3~{R})-3-[[4-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione, DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*AP*GP*CP*TP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ... | 著者 | Bax, B.D. | 登録日 | 2019-02-25 | 公開日 | 2019-03-13 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Mechanistic and Structural Basis for the Actions of the Antibacterial Gepotidacin against Staphylococcus aureus Gyrase. Acs Infect Dis., 5, 2019
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5LE5
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![BU of 5le5 by Molmil](/molmil-images/mine/5le5) | Native human 20S proteasome at 1.8 Angstrom | 分子名称: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | 著者 | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | 登録日 | 2016-06-29 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design. Science, 353, 2016
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1KA1
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![BU of 1ka1 by Molmil](/molmil-images/mine/1ka1) | The PAPase Hal2p complexed with calcium and magnesium ions and reaction substrate: PAP | 分子名称: | ADENOSINE-3'-5'-DIPHOSPHATE, BETA-MERCAPTOETHANOL, CALCIUM ION, ... | 著者 | Patel, S, Albert, A, Blundell, T.L. | 登録日 | 2001-10-31 | 公開日 | 2001-11-07 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structural enzymology of Li(+)-sensitive/Mg(2+)-dependent phosphatases. J.Mol.Biol., 320, 2002
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1K9U
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![BU of 1k9u by Molmil](/molmil-images/mine/1k9u) | Crystal Structure of the Calcium-Binding Pollen Allergen Phl p 7 (Polcalcin) at 1.75 Angstroem | 分子名称: | CALCIUM ION, Polcalcin Phl p 7, SULFATE ION | 著者 | Verdino, P, Westritschnig, K, Valenta, R, Keller, W. | 登録日 | 2001-10-30 | 公開日 | 2003-04-30 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | The cross-reactive calcium-binding pollen allergen, Phl p 7, reveals a novel dimer assembly EMBO J., 21, 2002
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1HCK
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![BU of 1hck by Molmil](/molmil-images/mine/1hck) | HUMAN CYCLIN-DEPENDENT KINASE 2 | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, HUMAN CYCLIN-DEPENDENT KINASE 2, MAGNESIUM ION | 著者 | Schulze-Gahmen, U, De Bondt, H.L, Kim, S.-H. | 登録日 | 1996-06-03 | 公開日 | 1996-12-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | High-resolution crystal structures of human cyclin-dependent kinase 2 with and without ATP: bound waters and natural ligand as guides for inhibitor design. J.Med.Chem., 39, 1996
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1GZ5
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![BU of 1gz5 by Molmil](/molmil-images/mine/1gz5) | Trehalose-6-phosphate synthase. OtsA | 分子名称: | 6-O-phosphono-alpha-D-glucopyranose, ALPHA-TREHALOSE-PHOSPHATE SYNTHASE, IMIDAZOLE, ... | 著者 | Gibson, R.P, Turkenburg, J.P, Davies, G.J. | 登録日 | 2002-05-15 | 公開日 | 2003-02-07 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Insights Into Trehalose Synthesis Provided by the Structure of the Retaining Glycosyltransferase Otsa Chem.Biol., 9, 2002
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1L0Z
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![BU of 1l0z by Molmil](/molmil-images/mine/1l0z) | THE STRUCTURE OF PORCINE PANCREATIC ELASTASE COMPLEXED WITH XENON AND BROMIDE, CRYOPROTECTED WITH DRY PARAFFIN OIL | 分子名称: | BROMIDE ION, ELASTASE 1, SODIUM ION, ... | 著者 | Tucker, P.A, Panjikar, S. | 登録日 | 2002-02-14 | 公開日 | 2002-08-28 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Xenon derivatization of halide-soaked protein crystals. Acta Crystallogr.,Sect.D, 58, 2002
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1L1G
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![BU of 1l1g by Molmil](/molmil-images/mine/1l1g) | The Structure of Porcine Pancreatic Elastase Complexed with Xenon and Bromide, Cryoprotected with Glycerol | 分子名称: | BROMIDE ION, ELASTASE 1, GLYCEROL, ... | 著者 | Panjikar, S, Tucker, P.A. | 登録日 | 2002-02-16 | 公開日 | 2002-08-28 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Xenon derivatization of halide-soaked protein crystals. Acta Crystallogr.,Sect.D, 58, 2002
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1KZP
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![BU of 1kzp by Molmil](/molmil-images/mine/1kzp) | PROTEIN FARNESYLTRANSFERASE COMPLEXED WITH A FARNESYLATED K-RAS4B PEPTIDE PRODUCT | 分子名称: | ACETIC ACID, FARNESYL, Farnesylated K-Ras4B peptide product, ... | 著者 | Long, S.B, Casey, P.J, Beese, L.S. | 登録日 | 2002-02-07 | 公開日 | 2002-10-16 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Reaction path of protein farnesyltransferase at atomic resolution Nature, 419, 2002
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8R02
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![BU of 8r02 by Molmil](/molmil-images/mine/8r02) | Crystal structure of the retromer complex VPS29/VPS35 with the ligand bis-1,3-phenyl guanylhydrazone, 2a | 分子名称: | Bis-1,3-phenyl guanylhydrazon, Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35 | 著者 | Milani, M, Fagnani, E. | 登録日 | 2023-10-30 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Stabilization of the retromer complex: Analysis of novel binding sites of bis-1,3-phenyl guanylhydrazone 2a to the VPS29/VPS35 interface. Comput Struct Biotechnol J, 23, 2024
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1H3O
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![BU of 1h3o by Molmil](/molmil-images/mine/1h3o) | |