7XN9
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![BU of 7xn9 by Molmil](/molmil-images/mine/7xn9) | Crystal structure of SSTR2 and L-054,522 complex | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Somatostatin receptor type 2,Endo-1,4-beta-xylanase, tert-butyl (2S)-6-azanyl-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate | 著者 | Zhao, W, Han, S, Qiu, N, Feng, W, Lu, M, Yang, D, Wang, M.-W, Wu, B, Zhao, Q. | 登録日 | 2022-04-28 | 公開日 | 2022-08-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural insights into ligand recognition and selectivity of somatostatin receptors. Cell Res., 32, 2022
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2DDY
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![BU of 2ddy by Molmil](/molmil-images/mine/2ddy) | Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor | 分子名称: | (1R)-N,6-DIHYDROXY-7-METHOXY-2-[(4-METHOXYPHENYL)SULFONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBOXAMIDE, CALCIUM ION, Matrilysin, ... | 著者 | Zheng, X.H, Ou, L. | 登録日 | 2006-02-06 | 公開日 | 2007-02-06 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution Structure of Matrilysin (MMP-7) Complexed to Constraint Conformational Sulfonamide Inhibitor to be published
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7RL2
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2EA2
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![BU of 2ea2 by Molmil](/molmil-images/mine/2ea2) | h-MetAP2 complexed with A773812 | 分子名称: | 3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | 著者 | Park, C.H. | 登録日 | 2007-01-30 | 公開日 | 2008-02-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Lead optimization of methionine aminopeptidase-2 (MetAP2) inhibitors containing sulfonamides of 5,6-disubstituted anthranilic acids Bioorg.Med.Chem.Lett., 17, 2007
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2EA4
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![BU of 2ea4 by Molmil](/molmil-images/mine/2ea4) | h-MetAP2 complexed with A797859 | 分子名称: | 2-(2-AMINOETHOXY)-3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | 著者 | Park, C.H. | 登録日 | 2007-01-30 | 公開日 | 2008-02-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Lead optimization of methionine aminopeptidase-2 (MetAP2) inhibitors containing sulfonamides of 5,6-disubstituted anthranilic acids Bioorg.Med.Chem.Lett., 17, 2007
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5ZO0
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![BU of 5zo0 by Molmil](/molmil-images/mine/5zo0) | |
7RMT
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![BU of 7rmt by Molmil](/molmil-images/mine/7rmt) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-70 | 分子名称: | 2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]benzaldehyde, 3C-like proteinase | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2021-07-28 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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7RNH
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![BU of 7rnh by Molmil](/molmil-images/mine/7rnh) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-45 | 分子名称: | 3C-like proteinase, 6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2021-07-29 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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7RLS
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![BU of 7rls by Molmil](/molmil-images/mine/7rls) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-68 | 分子名称: | 3C-like proteinase, 6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2021-07-26 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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7RNK
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![BU of 7rnk by Molmil](/molmil-images/mine/7rnk) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-71 | 分子名称: | 3C-like proteinase, 6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3H,5H)-dione | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2021-07-29 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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7RM2
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![BU of 7rm2 by Molmil](/molmil-images/mine/7rm2) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with Mcule-CSR-494190-S1 | 分子名称: | 3C-like proteinase, 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2021-07-26 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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7RME
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![BU of 7rme by Molmil](/molmil-images/mine/7rme) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-52 | 分子名称: | 3C-like proteinase, 6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2021-07-27 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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7RMB
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![BU of 7rmb by Molmil](/molmil-images/mine/7rmb) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-78 | 分子名称: | 3C-like proteinase, 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2021-07-27 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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7RN4
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![BU of 7rn4 by Molmil](/molmil-images/mine/7rn4) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-69 | 分子名称: | 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2021-07-29 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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7RMZ
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![BU of 7rmz by Molmil](/molmil-images/mine/7rmz) | Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-63 | 分子名称: | 3C-like proteinase, 6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | 登録日 | 2021-07-28 | 公開日 | 2021-11-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J.Med.Chem., 64, 2021
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2GA2
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![BU of 2ga2 by Molmil](/molmil-images/mine/2ga2) | h-MetAP2 complexed with A193400 | 分子名称: | 5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | 著者 | Park, C. | 登録日 | 2006-03-07 | 公開日 | 2007-03-13 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Development of sulfonamide compounds as potent methionine aminopeptidase type II inhibitors with antiproliferative properties. Bioorg.Med.Chem.Lett., 16, 2006
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8J19
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![BU of 8j19 by Molmil](/molmil-images/mine/8j19) | Cryo-EM structure of the LY237-bound GPR84 receptor-Gi complex | 分子名称: | 6-nonylpyridine-2,4-diol, Antibody fragment ScFv16, G-protein coupled receptor 84, ... | 著者 | Liu, H, Yin, W, Xu, H.E. | 登録日 | 2023-04-12 | 公開日 | 2023-06-21 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (3.23 Å) | 主引用文献 | Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84. Nat Commun, 14, 2023
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8J1A
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![BU of 8j1a by Molmil](/molmil-images/mine/8j1a) | Cryo-EM structure of the GPR84 receptor-Gi complex with no ligand modeled | 分子名称: | Antibody fragment ScFv16, G-protein coupled receptor 84, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Liu, H, Yin, W, Xu, H.E. | 登録日 | 2023-04-12 | 公開日 | 2023-06-21 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | 主引用文献 | Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84. Nat Commun, 14, 2023
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8J18
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![BU of 8j18 by Molmil](/molmil-images/mine/8j18) | Cryo-EM structure of the 3-OH-C12-bound GPR84 receptor-Gi complex | 分子名称: | (3R)-3-HYDROXYDODECANOIC ACID, Antibody fragment ScFv16, G-protein coupled receptor 84, ... | 著者 | Liu, H, Yin, W, Xu, H.E. | 登録日 | 2023-04-12 | 公開日 | 2023-06-21 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (2.89 Å) | 主引用文献 | Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84. Nat Commun, 14, 2023
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3KVD
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![BU of 3kvd by Molmil](/molmil-images/mine/3kvd) | Crystal structure of the Neisseria meningitidis Factor H binding protein, fHbp (GNA1870) at 2.0 A resolution | 分子名称: | Lipoprotein | 著者 | Cendron, L, Veggi, D, Girardi, E, Zanotti, G. | 登録日 | 2009-11-30 | 公開日 | 2010-12-29 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of the uncomplexed Neisseria meningitidis factor H-binding protein fHbp (rLP2086). Acta Crystallogr.,Sect.F, 67, 2011
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8JI5
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![BU of 8ji5 by Molmil](/molmil-images/mine/8ji5) | Crystal structure of AetD in complex with 5-bromo-L-tryptophan and two Fe2+ | 分子名称: | 5-bromo-L-tryptophan, AetD, FE (II) ION, ... | 著者 | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | 登録日 | 2023-05-26 | 公開日 | 2023-11-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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8JI4
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![BU of 8ji4 by Molmil](/molmil-images/mine/8ji4) | Crystal structure of AetD in complex with 5-bromo-L-tryptophan | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-bromo-L-tryptophan, AetD, ... | 著者 | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | 登録日 | 2023-05-26 | 公開日 | 2023-11-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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8JI3
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![BU of 8ji3 by Molmil](/molmil-images/mine/8ji3) | Crystal structure of AetD in complex with 5,7-dibromo-L-tryptophan and two Fe2+ | 分子名称: | (2S)-2-azanyl-3-[5,7-bis(bromanyl)-1H-indol-3-yl]propanoic acid, AetD, FE (II) ION, ... | 著者 | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | 登録日 | 2023-05-26 | 公開日 | 2023-11-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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8JI6
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![BU of 8ji6 by Molmil](/molmil-images/mine/8ji6) | Crystal structure of AetD in complex with L-tryptophan | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AetD, FE (II) ION, ... | 著者 | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | 登録日 | 2023-05-26 | 公開日 | 2023-11-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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8JI7
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![BU of 8ji7 by Molmil](/molmil-images/mine/8ji7) | Crystal structure of AetD in complex with L-tryptophan and two Fe2+ | 分子名称: | AetD, FE (II) ION, NICKEL (II) ION, ... | 著者 | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | 登録日 | 2023-05-26 | 公開日 | 2023-11-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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