7LLQ
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![BU of 7llq by Molmil](/molmil-images/mine/7llq) | Substrate-dependent divergence of leukotriene A4 hydrolase aminopeptidase activity | 分子名称: | 1-benzyl-4-methoxybenzene, 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline, Leukotriene A-4 hydrolase, ... | 著者 | Lee, K.H, Lee, S.H, Shim, Y.M, Paige, M, Noble, S.M. | 登録日 | 2021-02-04 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Substrate-dependent modulation of the leukotriene A 4 hydrolase aminopeptidase activity and effect in a murine model of acute lung inflammation. Sci Rep, 12, 2022
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5X6O
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![BU of 5x6o by Molmil](/molmil-images/mine/5x6o) | Intact ATR/Mec1-ATRIP/Ddc2 complex | 分子名称: | DNA damage checkpoint protein LCD1, Serine/threonine-protein kinase MEC1 | 著者 | Wang, X, Ran, T, Cai, G. | 登録日 | 2017-02-22 | 公開日 | 2017-12-20 | 最終更新日 | 2019-11-06 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | 3.9 angstrom structure of the yeast Mec1-Ddc2 complex, a homolog of human ATR-ATRIP. Science, 358, 2017
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5WRE
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![BU of 5wre by Molmil](/molmil-images/mine/5wre) | Hepatitis B virus core protein Y132A mutant in complex with heteroaryldihydropyrimidine (HAP_R01) | 分子名称: | (2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | 著者 | Zhou, Z, Xu, Z.H. | 登録日 | 2016-12-01 | 公開日 | 2017-02-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.946 Å) | 主引用文献 | Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms. Sci Rep, 7, 2017
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1Q38
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![BU of 1q38 by Molmil](/molmil-images/mine/1q38) | Anastellin | 分子名称: | Fibronectin | 著者 | Briknarova, K, Akerman, M.E, Hoyt, D.W, Ruoslahti, E, Ely, K.R. | 登録日 | 2003-07-28 | 公開日 | 2003-11-04 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Anastellin, an FN3 fragment with fibronectin polymerization activity, resembles amyloid fibril precursors J.Mol.Biol., 332, 2003
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4BU2
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![BU of 4bu2 by Molmil](/molmil-images/mine/4bu2) | 60S ribosomal protein L27A histidine hydroxylase (MINA53) in complex with Ni(II) and 2-oxoglutarate (2OG) | 分子名称: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE MINA, ... | 著者 | Chowdhury, R, Clifton, I.J, McDonough, M.A, Ng, S.S, Pilka, E, Oppermann, U, Schofield, C.J. | 登録日 | 2013-06-19 | 公開日 | 2014-05-14 | 最終更新日 | 2019-02-06 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 510, 2014
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8J5X
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![BU of 8j5x by Molmil](/molmil-images/mine/8j5x) | The crystal structure of TrkA(G595R) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.09192252 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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8J5W
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![BU of 8j5w by Molmil](/molmil-images/mine/8j5w) | The crystal structure of TrkA(F589L) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.28041458 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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8J61
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![BU of 8j61 by Molmil](/molmil-images/mine/8j61) | The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.05065274 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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8J63
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![BU of 8j63 by Molmil](/molmil-images/mine/8j63) | The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | 分子名称: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2023-04-24 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.0005 Å) | 主引用文献 | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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8JGD
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![BU of 8jgd by Molmil](/molmil-images/mine/8jgd) | GDP-bound KRAS G12C in complex with YK-8S | 分子名称: | (2~{S})-1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-2-oxidanyl-propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Zhang, Z.M, Wang, R.L. | 登録日 | 2023-05-20 | 公開日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.60037053 Å) | 主引用文献 | Simultaneous Covalent Modification of K-Ras(G12D) and K-Ras(G12C) with Tunable Oxirane Electrophiles. J.Am.Chem.Soc., 145, 2023
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8JHL
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![BU of 8jhl by Molmil](/molmil-images/mine/8jhl) | GDP-bound KRAS G12D in complex with YK-8S | 分子名称: | 1-[4-[7-(8-ethynyl-7-fluoranyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-3-oxidanyl-propan-1-one, GTPase KRas, N-terminally processed, ... | 著者 | Zhang, Z.M, Wang, R.L. | 登録日 | 2023-05-23 | 公開日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.10004044 Å) | 主引用文献 | Simultaneous Covalent Modification of K-Ras(G12D) and K-Ras(G12C) with Tunable Oxirane Electrophiles. J.Am.Chem.Soc., 145, 2023
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2N2Y
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![BU of 2n2y by Molmil](/molmil-images/mine/2n2y) | |
4M38
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![BU of 4m38 by Molmil](/molmil-images/mine/4m38) | |
6UPL
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![BU of 6upl by Molmil](/molmil-images/mine/6upl) | Structure of FACT_subnucleosome complex 2 | 分子名称: | DNA (79-mer), FACT complex subunit SPT16, FACT complex subunit SSRP1, ... | 著者 | Zhou, K, Tan, Y.Z, Wei, H, Liu, Y, Carragher, B, Potter, C, Luger, K. | 登録日 | 2019-10-17 | 公開日 | 2019-12-11 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (7.4 Å) | 主引用文献 | FACT caught in the act of manipulating the nucleosome. Nature, 577, 2020
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6UPK
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![BU of 6upk by Molmil](/molmil-images/mine/6upk) | Structure of FACT_subnucleosome complex 1 | 分子名称: | DNA (79-mer), FACT complex subunit SPT16, FACT complex subunit SSRP1, ... | 著者 | Zhou, K, Tan, Y.Z, Wei, H, Liu, Y, Carragher, B, Potter, C, Luger, K. | 登録日 | 2019-10-17 | 公開日 | 2019-12-11 | 最終更新日 | 2024-03-20 | 実験手法 | ELECTRON MICROSCOPY (4.9 Å) | 主引用文献 | FACT caught in the act of manipulating the nucleosome. Nature, 577, 2020
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8GQU
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![BU of 8gqu by Molmil](/molmil-images/mine/8gqu) | AK-42 inhibitor binding human ClC-2 TMD | 分子名称: | 2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid, Chloride channel protein 2 | 著者 | Wang, L. | 登録日 | 2022-08-30 | 公開日 | 2023-07-05 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Cryo-EM structures of ClC-2 chloride channel reveal the blocking mechanism of its specific inhibitor AK-42. Nat Commun, 14, 2023
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8K46
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![BU of 8k46 by Molmil](/molmil-images/mine/8k46) | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains | 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, Spike glycoprotein, ... | 著者 | Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H. | 登録日 | 2023-07-17 | 公開日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | 主引用文献 | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains. MedComm (2020), 4, 2023
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8K45
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![BU of 8k45 by Molmil](/molmil-images/mine/8k45) | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains | 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, Nb4 nanobody, ... | 著者 | Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H. | 登録日 | 2023-07-17 | 公開日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (3.66 Å) | 主引用文献 | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains. MedComm (2020), 4, 2023
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8K47
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![BU of 8k47 by Molmil](/molmil-images/mine/8k47) | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses including all major Omicron strains | 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, Spike glycoprotein, ... | 著者 | Lu, Y, Gao, Y, Yao, H, Xu, W, Yang, H. | 登録日 | 2023-07-17 | 公開日 | 2023-12-13 | 実験手法 | ELECTRON MICROSCOPY (3.54 Å) | 主引用文献 | A potent and broad-spectrum neutralizing nanobody for SARS-CoV-2 viruses, including all major Omicron strains. MedComm (2020), 4, 2023
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8K3K
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3SE8
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![BU of 3se8 by Molmil](/molmil-images/mine/3se8) | Crystal structure of broadly and potently neutralizing antibody VRC03 in complex with HIV-1 gp120 | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Kwong, P.D, Zhou, T. | 登録日 | 2011-06-10 | 公開日 | 2011-08-10 | 最終更新日 | 2021-04-07 | 実験手法 | X-RAY DIFFRACTION (1.895 Å) | 主引用文献 | Focused evolution of HIV-1 neutralizing antibodies revealed by structures and deep sequencing. Science, 333, 2011
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4NW7
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![BU of 4nw7 by Molmil](/molmil-images/mine/4nw7) | PDE4 catalytic domain | 分子名称: | (4-{[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | 著者 | Fox III, D, Edwards, T.E. | 登録日 | 2013-12-05 | 公開日 | 2014-10-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery of triazines as selective PDE4B versus PDE4D inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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3SE9
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![BU of 3se9 by Molmil](/molmil-images/mine/3se9) | Crystal structure of broadly and potently neutralizing antibody VRC-PG04 in complex with HIV-1 gp120 | 分子名称: | (R,R)-2,3-BUTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Kwong, P.D, Zhou, T. | 登録日 | 2011-06-10 | 公開日 | 2011-08-10 | 最終更新日 | 2021-04-07 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Focused evolution of HIV-1 neutralizing antibodies revealed by structures and deep sequencing. Science, 333, 2011
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4OCW
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![BU of 4ocw by Molmil](/molmil-images/mine/4ocw) | Crystal structure of human Fab CAP256-VRC26.06, a potent V1V2-directed HIV-1 neutralizing antibody | 分子名称: | CAP256-VRC26.06 heavy chain, CAP256-VRC26.06 light chain | 著者 | Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D. | 登録日 | 2014-01-09 | 公開日 | 2014-02-26 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (3.001 Å) | 主引用文献 | Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies. Nature, 509, 2014
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4ODH
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![BU of 4odh by Molmil](/molmil-images/mine/4odh) | Crystal structure of human Fab CAP256-VRC26.UCA, a potent V1V2-directed HIV-1 neutralizing antibody | 分子名称: | CAP256-VRC26.UCA heavy chain, CAP256-VRC26.UCA light chain | 著者 | Gorman, J, Doria-Rose, N.A, Schramm, C.A, Moore, P.L, Mascola, J.R, Shapiro, L, Morris, L, Kwong, P.D. | 登録日 | 2014-01-10 | 公開日 | 2014-02-26 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.894 Å) | 主引用文献 | Developmental pathway for potent V1V2-directed HIV-neutralizing antibodies. Nature, 509, 2014
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