4KZI
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![BU of 4kzi by Molmil](/molmil-images/mine/4kzi) | Crystal Structure of TR3 LBD in complex with DPDO | 分子名称: | 1-(3,5-dimethoxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | 著者 | Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T. | 登録日 | 2013-05-30 | 公開日 | 2013-12-18 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway. Nat.Chem.Biol., 10, 2014
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8SNL
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![BU of 8snl by Molmil](/molmil-images/mine/8snl) | Structure of human ADAM17/iRhom2 sheddase complex | 分子名称: | CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 17, Inactive rhomboid protein 2, ... | 著者 | Zhao, H, Dai, Y, Wang, Y, Lee, C.H. | 登録日 | 2023-04-27 | 公開日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.78 Å) | 主引用文献 | Structure of human ADAM17/iRhom2 sheddase complex To Be Published
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8SNO
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![BU of 8sno by Molmil](/molmil-images/mine/8sno) | Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 2 | 分子名称: | CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 17, Inactive rhomboid protein 2 | 著者 | Zhao, H, Dai, Y, Wang, Y, Lee, C.H. | 登録日 | 2023-04-27 | 公開日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.78 Å) | 主引用文献 | Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 2 To Be Published
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8SNN
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![BU of 8snn by Molmil](/molmil-images/mine/8snn) | Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 1 | 分子名称: | CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 17, Inactive rhomboid protein 2 | 著者 | Zhao, H, Dai, Y, Wang, Y, Lee, C.H. | 登録日 | 2023-04-27 | 公開日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (2.32 Å) | 主引用文献 | Structure of mature human ADAM17/iRhom2 sheddase complex, conformation 1 To Be Published
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8SNM
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![BU of 8snm by Molmil](/molmil-images/mine/8snm) | Structure of mature human ADAM17/iRhom2 sheddase complex in complex with ADAM17 prodomain | 分子名称: | CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 17, Disintegrin and metalloproteinase domain-containing protein 17 propeptide, ... | 著者 | Zhao, H, Dai, Y, Wang, Y, Lee, C.H. | 登録日 | 2023-04-27 | 公開日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.84 Å) | 主引用文献 | Structure of mature human ADAM17/iRhom2 sheddase complex in complex with ADAM17 prodomain To Be Published
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7ZGO
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![BU of 7zgo by Molmil](/molmil-images/mine/7zgo) | Cryo-EM structure of human NKCC1 (TM domain) | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHLORIDE ION, CHOLESTEROL HEMISUCCINATE, ... | 著者 | Nissen, P, Fenton, R, Neumann, C, Lindtoft Rosenbaek, L, Kock Flygaard, R, Habeck, M, Lykkegaard Karlsen, J, Wang, Y, Lindorff-Larsen, K, Gad, H, Hartmann, R, Lyons, J. | 登録日 | 2022-04-04 | 公開日 | 2022-10-05 | 最終更新日 | 2023-04-19 | 実験手法 | ELECTRON MICROSCOPY (2.55 Å) | 主引用文献 | Cryo-EM structure of the human NKCC1 transporter reveals mechanisms of ion coupling and specificity. Embo J., 41, 2022
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4N9D
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![BU of 4n9d by Molmil](/molmil-images/mine/4n9d) | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | 分子名称: | 1,2-ETHANEDIOL, 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide, Nicotinamide phosphoribosyltransferase, ... | 著者 | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | 登録日 | 2013-10-20 | 公開日 | 2014-02-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.701 Å) | 主引用文献 | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 24, 2014
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6PDR
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![BU of 6pdr by Molmil](/molmil-images/mine/6pdr) | |
6PDU
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![BU of 6pdu by Molmil](/molmil-images/mine/6pdu) | Vaccine-elicited NHP FP-targeting antibody 13N024-a.01 in complex with HIV fusion peptide (residue 512-519) | 分子名称: | HIV-1 fusion peptide residue 512-519, antibody 13N024-a.01, heavy chain, ... | 著者 | Xu, K, Liu, K, Wang, Y, Kwong, P.D. | 登録日 | 2019-06-19 | 公開日 | 2020-06-24 | 実験手法 | X-RAY DIFFRACTION (1.953 Å) | 主引用文献 | Modular recognition of antigens provides a mechanism that improves vaccine-elicited antibody-class frequencies To Be Published
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5KJ5
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![BU of 5kj5 by Molmil](/molmil-images/mine/5kj5) | Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169D in complex with NAD+ | 分子名称: | 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | 登録日 | 2016-06-17 | 公開日 | 2016-11-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.113 Å) | 主引用文献 | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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5KLL
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![BU of 5kll by Molmil](/molmil-images/mine/5kll) | Crystal structure of 2-hydroxymuconate-6-semialdehyde derived tautomeric intermediate in 2-aminomuconate 6-semialdehyde dehydrogenase N169D | 分子名称: | (3~{E},5~{E})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, SODIUM ION | 著者 | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | 登録日 | 2016-06-24 | 公開日 | 2016-11-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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6QGK
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![BU of 6qgk by Molmil](/molmil-images/mine/6qgk) | Structure of human Bcl-2 in complex with THIQ-phenyl pyrazole compound | 分子名称: | 1-[2-[[(3~{S})-3-(aminomethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]phenyl]-~{N},~{N}-dibutyl-5-methyl-pyrazole-3-carboxamide, ACETATE ION, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | 登録日 | 2019-01-11 | 公開日 | 2019-06-12 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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5KLO
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![BU of 5klo by Molmil](/molmil-images/mine/5klo) | Crystal structure of thioacyl intermediate in 2-aminomuconate 6-semialdehyde dehydrogenase N169A | 分子名称: | (2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | 登録日 | 2016-06-24 | 公開日 | 2016-11-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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5KLM
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![BU of 5klm by Molmil](/molmil-images/mine/5klm) | Crystal structure of 2-hydroxymuconate-6-semialdehyde derived intermediate in NAD(+)-bound 2-aminomuconate 6-semialdehyde dehydrogenase N169D | 分子名称: | 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | 著者 | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | 登録日 | 2016-06-24 | 公開日 | 2016-11-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.102 Å) | 主引用文献 | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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6QFI
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![BU of 6qfi by Molmil](/molmil-images/mine/6qfi) | Structure of human Mcl-1 in complex with BIM BH3 peptide | 分子名称: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | 登録日 | 2019-01-10 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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6QFQ
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![BU of 6qfq by Molmil](/molmil-images/mine/6qfq) | Structure of human Mcl-1 in complex with indole acid inhibitor | 分子名称: | 7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | 登録日 | 2019-01-10 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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6QG8
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![BU of 6qg8 by Molmil](/molmil-images/mine/6qg8) | Structure of human Bcl-2 in complex with PUMA BH3 peptide | 分子名称: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, Bcl-2-binding component 3 | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | 登録日 | 2019-01-10 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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6QFM
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![BU of 6qfm by Molmil](/molmil-images/mine/6qfm) | Structure of human Mcl-1 in complex with PUMA BH3 peptide | 分子名称: | Bcl-2-binding component 3, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | 登録日 | 2019-01-10 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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6QGH
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![BU of 6qgh by Molmil](/molmil-images/mine/6qgh) | Structure of human Bcl-2 in complex with ABT-263 | 分子名称: | 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | 登録日 | 2019-01-11 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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6QGJ
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![BU of 6qgj by Molmil](/molmil-images/mine/6qgj) | Structure of human Bcl-2 in complex with fragment/ABT-263 hybrid | 分子名称: | 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | 登録日 | 2019-01-11 | 公開日 | 2019-06-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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5KLN
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![BU of 5kln by Molmil](/molmil-images/mine/5kln) | Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169A in complex with NAD+ | 分子名称: | 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | 著者 | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | 登録日 | 2016-06-24 | 公開日 | 2016-11-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.992 Å) | 主引用文献 | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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1A52
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![BU of 1a52 by Molmil](/molmil-images/mine/1a52) | |
5KLK
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![BU of 5klk by Molmil](/molmil-images/mine/5klk) | Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169D in complex with NAD+ and 2-hydroxymuconate-6-semialdehyde | 分子名称: | (2E,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | 登録日 | 2016-06-24 | 公開日 | 2016-11-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.006 Å) | 主引用文献 | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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4RL1
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![BU of 4rl1 by Molmil](/molmil-images/mine/4rl1) | |
6O5M
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![BU of 6o5m by Molmil](/molmil-images/mine/6o5m) | Tubulin-RB3_SLD-TTL in complex with compound 10bb | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | 著者 | Kumar, G, Wang, Y, Li, W, White, S.W. | 登録日 | 2019-03-04 | 公開日 | 2019-07-10 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Guided Design, Synthesis, and Biological Evaluation of (2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) Analogues Targeting the Colchicine Binding Site in Tubulin. J.Med.Chem., 62, 2019
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