6EBA
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![BU of 6eba by Molmil](/molmil-images/mine/6eba) | Crystal Structure of A Bacterial Homolog to Human Lysosomal Transporter, Spinster, in Inward-facing And Unoccupied Conformation | 分子名称: | Major facilitator family transporter | 著者 | Zhou, F, Yao, D, Rao, B, Zhang, L, Cao, Y. | 登録日 | 2018-08-06 | 公開日 | 2019-08-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.812 Å) | 主引用文献 | Crystal structure of a bacterial homolog to human lysosomal transporter, spinster Sci Bull (Beijing), 64, 2019
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5DFZ
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![BU of 5dfz by Molmil](/molmil-images/mine/5dfz) | Structure of Vps34 complex II from S. cerevisiae. | 分子名称: | Nanobody binding S. cerevisiae Vps34, Phosphatidylinositol 3-kinase VPS34, Putative N-terminal domain of S. cerevisiae Vps30, ... | 著者 | Rostislavleva, K, Soler, N, Ohashi, Y, Zhang, L, Williams, R.L. | 登録日 | 2015-08-27 | 公開日 | 2015-10-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (4.4 Å) | 主引用文献 | Structure and flexibility of the endosomal Vps34 complex reveals the basis of its function on membranes. Science, 350, 2015
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8EYZ
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![BU of 8eyz by Molmil](/molmil-images/mine/8eyz) | Engineered glutamine binding protein bound to GLN and a cobaloxime ligand | 分子名称: | AZIDOBIS (DIMETHYLGLYOXIMATO) PYRIDINECOBALT, Amino acid ABC transporter substrate-binding protein, GLUTAMINE, ... | 著者 | Bridwell-Rabb, J, Boggs, D.G, Olshansky, L, Fatima, S, Thompson, P. | 登録日 | 2022-10-29 | 公開日 | 2022-11-23 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Engineering a Conformationally Switchable Artificial Metalloprotein. J.Am.Chem.Soc., 144, 2022
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5DP4
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![BU of 5dp4 by Molmil](/molmil-images/mine/5dp4) | Crystal Structure of EV71 3C Proteinase in complex with compound 3 | 分子名称: | 3C proteinase, ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | 著者 | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | 登録日 | 2015-09-12 | 公開日 | 2016-03-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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5DP9
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![BU of 5dp9 by Molmil](/molmil-images/mine/5dp9) | Crystal Structure of EV71 3C Proteinase in complex with compound 9 | 分子名称: | 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | 著者 | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | 登録日 | 2015-09-12 | 公開日 | 2016-03-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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1HWT
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![BU of 1hwt by Molmil](/molmil-images/mine/1hwt) | STRUCTURE OF A HAP1/DNA COMPLEX REVEALS DRAMATICALLY ASYMMETRIC DNA BINDING BY A HOMODIMERIC PROTEIN | 分子名称: | DNA (5'-D(*GP*CP*GP*CP*TP*AP*TP*TP*AP*TP*CP*GP*CP*TP*AP*TP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*AP*TP*AP*GP*CP*GP*AP*TP*AP*AP*TP*AP*GP*CP*GP*C)-3'), PROTEIN (HEME ACTIVATOR PROTEIN), ... | 著者 | King, D.A, Zhang, L, Guarente, L, Marmorstein, R. | 登録日 | 1998-09-17 | 公開日 | 1999-11-10 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure of a HAP1-DNA complex reveals dramatically asymmetric DNA binding by a homodimeric protein. Nat.Struct.Biol., 6, 1999
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5DP8
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![BU of 5dp8 by Molmil](/molmil-images/mine/5dp8) | Crystal Structure of EV71 3C Proteinase in complex with compound 8 | 分子名称: | 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(2-cyclopropylethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | 著者 | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | 登録日 | 2015-09-12 | 公開日 | 2016-03-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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5DPA
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![BU of 5dpa by Molmil](/molmil-images/mine/5dpa) | Crystal Structure of EV71 3C Proteinase in complex with compound 6 | 分子名称: | 3C proteinase, ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | 著者 | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | 登録日 | 2015-09-12 | 公開日 | 2016-03-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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7EW9
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![BU of 7ew9 by Molmil](/molmil-images/mine/7ew9) | GDP-bound KRAS G12D in complex with TH-Z816 | 分子名称: | 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | 著者 | Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T. | 登録日 | 2021-05-25 | 公開日 | 2021-12-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge. Cell Discov, 8, 2022
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7EWB
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![BU of 7ewb by Molmil](/molmil-images/mine/7ewb) | GDP-bound KRAS G12D in complex with TH-Z835 | 分子名称: | 4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | 著者 | Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T. | 登録日 | 2021-05-25 | 公開日 | 2021-12-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge. Cell Discov, 8, 2022
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7EWA
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![BU of 7ewa by Molmil](/molmil-images/mine/7ewa) | GDP-bound KRAS G12D in complex with TH-Z827 | 分子名称: | 4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | 著者 | Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T. | 登録日 | 2021-05-25 | 公開日 | 2021-12-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge. Cell Discov, 8, 2022
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6F6R
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![BU of 6f6r by Molmil](/molmil-images/mine/6f6r) | Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide | 分子名称: | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION | 著者 | Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F. | 登録日 | 2017-12-06 | 公開日 | 2018-05-02 | 最終更新日 | 2018-05-23 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne. J. Med. Chem., 61, 2018
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5DP5
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![BU of 5dp5 by Molmil](/molmil-images/mine/5dp5) | Crystal Structure of EV71 3C Proteinase in complex with compound 4 | 分子名称: | 3C proteinase, ethyl (2Z,4S)-4-{[(2R,5S)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | 著者 | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | 登録日 | 2015-09-12 | 公開日 | 2016-03-30 | 最終更新日 | 2016-04-06 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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5DP7
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![BU of 5dp7 by Molmil](/molmil-images/mine/5dp7) | Crystal Structure of EV71 3C Proteinase in complex with compound 5 | 分子名称: | 3C proteinase, ethyl (2Z,4S)-4-{[N-(3-methylbutanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | 著者 | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | 登録日 | 2015-09-12 | 公開日 | 2016-03-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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5DP3
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![BU of 5dp3 by Molmil](/molmil-images/mine/5dp3) | Crystal Structure of EV71 3C Proteinase in complex with compound 2 | 分子名称: | 3C proteinase, ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate | 著者 | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | 登録日 | 2015-09-12 | 公開日 | 2016-03-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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3PLA
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![BU of 3pla by Molmil](/molmil-images/mine/3pla) | Crystal structure of a catalytically active substrate-bound box C/D RNP from Sulfolobus solfataricus | 分子名称: | 50S ribosomal protein L7Ae, C/D guide RNA, Fibrillarin-like rRNA/tRNA 2'-O-methyltransferase, ... | 著者 | Lin, J, Lai, S, Jia, R, Xu, A, Zhang, L, Lu, J, Ye, K. | 登録日 | 2010-11-15 | 公開日 | 2011-01-26 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Structural basis for site-specific ribose methylation by box C/D RNA protein complexes. Nature, 469, 2011
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2RJH
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![BU of 2rjh by Molmil](/molmil-images/mine/2rjh) | Crystal structure of biosynthetic alaine racemase in D-cycloserine-bound form from Escherichia coli | 分子名称: | Alanine racemase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, SULFATE ION | 著者 | Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X. | 登録日 | 2007-10-15 | 公開日 | 2008-07-08 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis Protein Sci., 17, 2008
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6A67
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![BU of 6a67 by Molmil](/molmil-images/mine/6a67) | Crystal structure of influenza A virus H5 hemagglutinin globular head in complex with the Fab of antibody FLD21.140 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLD21.140 Heavy Chain, FLD21.140 Light Chain, ... | 著者 | Wang, P, Zuo, Y, Sun, J, Zhang, L, Wang, X. | 登録日 | 2018-06-26 | 公開日 | 2018-08-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Complementary recognition of the receptor-binding site of highly pathogenic H5N1 influenza viruses by two human neutralizing antibodies. J. Biol. Chem., 293, 2018
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2CGR
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![BU of 2cgr by Molmil](/molmil-images/mine/2cgr) | |
1CGS
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![BU of 1cgs by Molmil](/molmil-images/mine/1cgs) | |
8IF8
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![BU of 8if8 by Molmil](/molmil-images/mine/8if8) | Arabinosyltransferase AftA | 分子名称: | CALCIUM ION, Galactan 5-O-arabinofuranosyltransferase | 著者 | Gong, Y.C, Rao, Z.H, Zhang, L. | 登録日 | 2023-02-17 | 公開日 | 2023-05-31 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structure of the priming arabinosyltransferase AftA required for AG biosynthesis of Mycobacterium tuberculosis. Proc.Natl.Acad.Sci.USA, 120, 2023
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2K8P
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![BU of 2k8p by Molmil](/molmil-images/mine/2k8p) | Characterisation of the structural features and interactions of sclerostin: molecular insight into a key regulator of Wnt-mediated bone formation | 分子名称: | Sclerostin | 著者 | Veverka, V, Henry, A.J, Slocombe, P.M, Ventom, A, Mulloy, B, Muskett, F.W, Muzylak, M, Greenslade, K, Moore, A, Zhang, L, Gong, J, Qian, X, Paszty, C, Taylor, R.J, Robinson, M.K, Carr, M.D. | 登録日 | 2008-09-18 | 公開日 | 2009-02-17 | 最終更新日 | 2022-03-16 | 実験手法 | SOLUTION NMR | 主引用文献 | Characterization of the Structural Features and Interactions of Sclerostin: Molecular insight into a key regulator of Wnt-mediated bone formation J.Biol.Chem., 284, 2009
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8W72
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![BU of 8w72 by Molmil](/molmil-images/mine/8w72) | |
8W6Z
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![BU of 8w6z by Molmil](/molmil-images/mine/8w6z) | Substrate-bound crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins | 分子名称: | (E)-3-[2-[(2R,3S)-3-[(1R)-1-aminocarbonyloxypropyl]oxiran-2-yl]phenyl]prop-2-enoic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Fang, C, Zhang, L, Zhu, Y, Zhang, C. | 登録日 | 2023-08-30 | 公開日 | 2024-06-12 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Substrate-bound crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins To Be Published
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6G3O
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![BU of 6g3o by Molmil](/molmil-images/mine/6g3o) | Crystal structure of human HDAC2 in complex with (R)-6-[3,4-Dioxo-2-(4-trifluoromethoxy-phenylamino)-cyclobut-1-enylamino]-heptanoic acid hydroxyamide | 分子名称: | (6~{R})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{N}-oxidanyl-heptanamide, CALCIUM ION, Histone deacetylase 2, ... | 著者 | Isabet, T, Aurelly, M, Chantalat, L, Thoreau, E. | 登録日 | 2018-03-26 | 公開日 | 2018-06-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Squaramides as novel class I and IIB histone deacetylase inhibitors for topical treatment of cutaneous t-cell lymphoma. Bioorg. Med. Chem. Lett., 28, 2018
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