3HQW
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![BU of 3hqw by Molmil](/molmil-images/mine/3hqw) | Discovery of novel inhibitors of PDE10A | 分子名称: | 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole, MAGNESIUM ION, ZINC ION, ... | 著者 | Pandit, J, Marr, E.S. | 登録日 | 2009-06-08 | 公開日 | 2009-08-04 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009
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7UUR
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![BU of 7uur by Molmil](/molmil-images/mine/7uur) | The 1.67 Angstrom CryoEM structure of the [NiFe]-hydrogenase Huc from Mycobacterium smegmatis - catalytic dimer (Huc2S2L) | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, HYDROXIDE ION, ... | 著者 | Grinter, R, Venugopal, H, Kropp, A, Greening, C. | 登録日 | 2022-04-28 | 公開日 | 2023-01-04 | 最終更新日 | 2023-03-29 | 実験手法 | ELECTRON MICROSCOPY (1.67 Å) | 主引用文献 | Structural basis for bacterial energy extraction from atmospheric hydrogen. Nature, 615, 2023
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7UUS
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![BU of 7uus by Molmil](/molmil-images/mine/7uus) | The CryoEM structure of the [NiFe]-hydrogenase Huc from Mycobacterium smegmatis - Full complex focused refinement of stalk | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2, ... | 著者 | Grinter, R, Venugopal, H, Kropp, A, Greening, C. | 登録日 | 2022-04-28 | 公開日 | 2023-01-04 | 最終更新日 | 2023-04-05 | 実験手法 | ELECTRON MICROSCOPY (8 Å) | 主引用文献 | Structural basis for bacterial energy extraction from atmospheric hydrogen. Nature, 615, 2023
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7UTD
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![BU of 7utd by Molmil](/molmil-images/mine/7utd) | The 2.19-angstrom CryoEM structure of the [NiFe]-hydrogenase Huc from Mycobacterium smegmatis - Complex minus stalk | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, Hydrogenase-2, ... | 著者 | Grinter, R, Venugopal, H, Kropp, A, Greening, C. | 登録日 | 2022-04-26 | 公開日 | 2023-01-04 | 最終更新日 | 2023-04-05 | 実験手法 | ELECTRON MICROSCOPY (2.19 Å) | 主引用文献 | Structural basis for bacterial energy extraction from atmospheric hydrogen. Nature, 615, 2023
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3G5E
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![BU of 3g5e by Molmil](/molmil-images/mine/3g5e) | Human aldose reductase complexed with IDD 740 inhibitor | 分子名称: | 2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid, Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Podjarny, A.D, Van Zandt, M.C. | 登録日 | 2009-02-05 | 公開日 | 2009-03-24 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Discovery of [3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]acetic acids as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications. Bioorg.Med.Chem.Lett., 19, 2009
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3HR1
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![BU of 3hr1 by Molmil](/molmil-images/mine/3hr1) | Discovery of novel inhibitors of PDE10A | 分子名称: | 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline, MAGNESIUM ION, SULFATE ION, ... | 著者 | Pandit, J, Marr, E.S. | 登録日 | 2009-06-08 | 公開日 | 2009-08-04 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009
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3GW9
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![BU of 3gw9 by Molmil](/molmil-images/mine/3gw9) | Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei bound to an inhibitor N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxaziazol-2-yl)benzamide | 分子名称: | N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14ALPHA-DEMETHYLASE | 著者 | Lepesheva, G.I, Hargrove, T.Y, Harp, J, Wawrzak, Z, Waterman, M.R. | 登録日 | 2009-03-31 | 公開日 | 2009-11-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections. J.Biol.Chem., 285, 2010
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4XBJ
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![BU of 4xbj by Molmil](/molmil-images/mine/4xbj) | Y274F alanine racemase from E. coli inhibited by l-ala-p | 分子名称: | Alanine racemase, biosynthetic, SULFATE ION, ... | 著者 | Squire, C.J, Yosaatmadja, Y, Patrick, W.M. | 登録日 | 2014-12-17 | 公開日 | 2015-12-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Mechanistic and Evolutionary Insights from the Reciprocal Promiscuity of Two Pyridoxal Phosphate-dependent Enzymes. J.Biol.Chem., 291, 2016
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4P26
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![BU of 4p26 by Molmil](/molmil-images/mine/4p26) | Structure of the P domain from a GI.7 Norovirus variant in complex with A-type 2 HBGA | 分子名称: | P domain of VP1, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | 登録日 | 2014-03-01 | 公開日 | 2014-04-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4P2N
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![BU of 4p2n by Molmil](/molmil-images/mine/4p2n) | Structure of the P domain from a GI.7 Norovirus variant in complex with LeX HBGA | 分子名称: | Major capsid protein, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | 登録日 | 2014-03-04 | 公開日 | 2014-04-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4P1V
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![BU of 4p1v by Molmil](/molmil-images/mine/4p1v) | Structure of the P domain from a GI.7 Norovirus variant in complex with H-type 2 HBGA | 分子名称: | P domain of VPI, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | 登録日 | 2014-02-27 | 公開日 | 2014-04-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5497 Å) | 主引用文献 | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4Q5T
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3R43
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![BU of 3r43 by Molmil](/molmil-images/mine/3r43) | AKR1C3 complexed with mefenamic acid | 分子名称: | 1,2-ETHANEDIOL, 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, Aldo-keto reductase family 1 member C3, ... | 著者 | Squire, C.J, Teague, R.M, Yosaatmadja, L. | 登録日 | 2011-03-17 | 公開日 | 2012-03-28 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3. Plos One, 7, 2012
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4P12
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![BU of 4p12 by Molmil](/molmil-images/mine/4p12) | Native Structure of the P domain from a GI.7 Norovirus variant. | 分子名称: | Major capsid protein | 著者 | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | 登録日 | 2014-02-24 | 公開日 | 2014-04-02 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.6011 Å) | 主引用文献 | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4P3I
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![BU of 4p3i by Molmil](/molmil-images/mine/4p3i) | Structure of the P domain from a GI.7 Norovirus variant in complex with LeA HBGA. | 分子名称: | P domain of VP1, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | 登録日 | 2014-03-07 | 公開日 | 2014-04-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.6941 Å) | 主引用文献 | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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4P25
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![BU of 4p25 by Molmil](/molmil-images/mine/4p25) | Structure of the P domain from a GI.7 Norovirus variant in complex with LeY HBGA. | 分子名称: | Major capsid protein, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Shanker, S, Czako, R, Sankaran, B, Atmar, R, Estes, M, Prasad, B.V.V. | 登録日 | 2014-03-01 | 公開日 | 2014-04-02 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.4991 Å) | 主引用文献 | Structural analysis of determinants of histo-blood group antigen binding specificity in genogroup I noroviruses. J.Virol., 88, 2014
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3N0F
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![BU of 3n0f by Molmil](/molmil-images/mine/3n0f) | |
3N0G
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6F9Q
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![BU of 6f9q by Molmil](/molmil-images/mine/6f9q) | Binary complex of a 7S-cis-cis-nepetalactol cyclase from Nepeta mussinii with NAD+ | 分子名称: | 7S-cis-cis-nepetalactol cyclase, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Lichman, B.R, Kamileen, M.O, Titchiner, G, Saalbach, G, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E. | 登録日 | 2017-12-15 | 公開日 | 2018-12-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Uncoupled activation and cyclization in catmint reductive terpenoid biosynthesis. Nat. Chem. Biol., 15, 2019
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4ITG
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![BU of 4itg by Molmil](/molmil-images/mine/4itg) | P113S mutant of E. coli Cystathionine beta-lyase MetC | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cystathionine beta-lyase MetC | 著者 | Squire, C.J, Yosaatmadja, Y, Soo, V.W.C, Patrick, W.M. | 登録日 | 2013-01-18 | 公開日 | 2014-12-24 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Mechanistic and Evolutionary Insights from the Reciprocal Promiscuity of Two Pyridoxal Phosphate-dependent Enzymes. J.Biol.Chem., 291, 2016
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4ITX
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![BU of 4itx by Molmil](/molmil-images/mine/4itx) | P113S mutant of E. coli Cystathionine beta-lyase MetC inhibited by reaction with L-Ala-P | 分子名称: | CALCIUM ION, Cystathionine beta-lyase MetC, {1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-ETHYL}-PHOSPHONIC ACID | 著者 | Squire, C.J, Yosaatmadja, Y, Soo, V.W.C, Patrick, W.M. | 登録日 | 2013-01-19 | 公開日 | 2014-12-24 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Mechanistic and Evolutionary Insights from the Reciprocal Promiscuity of Two Pyridoxal Phosphate-dependent Enzymes. J.Biol.Chem., 291, 2016
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4BTX
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![BU of 4btx by Molmil](/molmil-images/mine/4btx) | Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-isopropylamino-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, CALCIUM ION, ... | 著者 | Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A. | 登録日 | 2013-06-19 | 公開日 | 2013-12-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode. J.Med.Chem., 56, 2013
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6LBA
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![BU of 6lba by Molmil](/molmil-images/mine/6lba) | Cryo-EM structure of the AtMLKL2 tetramer | 分子名称: | Protein kinase family protein | 著者 | Lisa, M, Huang, M, Zhang, X, Ryohei, T.N, Leila, B.K, Isabel, M.L.S, Florence, J, Viera, K, Dmitry, L, Jane, E.P, James, M.M, Kay, H, Paul, S.L, Chai, J, Takaki, M. | 登録日 | 2019-11-13 | 公開日 | 2020-11-18 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Cryo-EM structure of the AtMLKL3 tetramer To Be Published
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6QNV
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![BU of 6qnv by Molmil](/molmil-images/mine/6qnv) | Fibrinogen-like globe domain of Human Tenascin-C | 分子名称: | Tenascin | 著者 | Coker, J.A, Bezerra, G.A, Bradshaw, W.J, Zhang, M, Yosaatmadja, Y, Fernandez-Cid, A, Shrestha, L, Burgess-Brown, N, Gileadi, O, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC) | 登録日 | 2019-02-12 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Fibrinogen-like globe domain of Human Tenascin-C To Be Published
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4BTW
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![BU of 4btw by Molmil](/molmil-images/mine/4btw) | Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(cyclohexylamino)-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, ... | 著者 | Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A. | 登録日 | 2013-06-19 | 公開日 | 2013-12-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode. J.Med.Chem., 56, 2013
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