4O0X
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![BU of 4o0x by Molmil](/molmil-images/mine/4o0x) | Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors | 分子名称: | 1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol, Serine/threonine-protein kinase PAK 4 | 著者 | Rouge, L, Tam, C, Wang, W. | 登録日 | 2013-12-14 | 公開日 | 2014-02-12 | 最終更新日 | 2014-11-05 | 実験手法 | X-RAY DIFFRACTION (2.483 Å) | 主引用文献 | Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors. J.Med.Chem., 57, 2014
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7CGW
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![BU of 7cgw by Molmil](/molmil-images/mine/7cgw) | Complex structure of PD-1 and tislelizumab Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ... | 著者 | Hong, Y, Feng, Y.C, Liu, Y. | 登録日 | 2020-07-02 | 公開日 | 2021-04-07 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage. Febs Open Bio, 11, 2021
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1I8L
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![BU of 1i8l by Molmil](/molmil-images/mine/1i8l) | HUMAN B7-1/CTLA-4 CO-STIMULATORY COMPLEX | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTOTOXIC T-LYMPHOCYTE PROTEIN 4, T LYMPHOCYTE ACTIVATION ANTIGEN CD80, ... | 著者 | Stamper, C.C, Somers, W.S, Mosyak, L. | 登録日 | 2001-03-14 | 公開日 | 2001-04-04 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Crystal structure of the B7-1/CTLA-4 complex that inhibits human immune responses. Nature, 410, 2001
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6L8Q
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![BU of 6l8q by Molmil](/molmil-images/mine/6l8q) | Complex structure of bat CD26 and MERS-RBD | 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, Dipeptidyl peptidase 4, ... | 著者 | Yuan, Y. | 登録日 | 2019-11-07 | 公開日 | 2019-12-04 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Molecular Basis of Binding between Middle East Respiratory Syndrome Coronavirus and CD26 from Seven Bat Species. J.Virol., 94, 2020
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4YNL
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![BU of 4ynl by Molmil](/molmil-images/mine/4ynl) | Crystal structure of the hood domain of Anabaena HetR in complex with the hexapeptide ERGSGR derived from PatS | 分子名称: | Heterocyst differentiation control protein, Heterocyst inhibition-signaling peptide | 著者 | Hu, H.X, Jiang, Y.L, Zhao, M.X, Zhang, C.C, Chen, Y, Zhou, C.Z. | 登録日 | 2015-03-10 | 公開日 | 2015-12-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural insights into HetR-PatS interaction involved in cyanobacterial pattern formation Sci Rep, 5, 2015
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4YRV
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![BU of 4yrv by Molmil](/molmil-images/mine/4yrv) | Crystal structure of Anabaena transcription factor HetR complexed with 21-bp DNA from hetP promoter | 分子名称: | CALCIUM ION, DNA (5'-D(P*AP*TP*GP*AP*GP*GP*GP*GP*TP*TP*AP*GP*AP*CP*CP*CP*CP*TP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*GP*GP*GP*GP*TP*CP*TP*AP*AP*CP*CP*CP*CP*TP*CP*AP*T)-3'), ... | 著者 | Hu, H.X, Jiang, Y.L, Zhao, M.X, Zhang, C.C, Chen, Y, Zhou, C.Z. | 登録日 | 2015-03-16 | 公開日 | 2015-12-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural insights into HetR-PatS interaction involved in cyanobacterial pattern formation Sci Rep, 5, 2015
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6DIF
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![BU of 6dif by Molmil](/molmil-images/mine/6dif) | Wild-type HIV-1 protease in complex with tipranavir | 分子名称: | CHLORIDE ION, GLYCEROL, HIV-1 protease, ... | 著者 | Wong-Sam, A.E, Wang, Y.-F, Weber, I.T. | 登録日 | 2018-05-23 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
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6DIL
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![BU of 6dil by Molmil](/molmil-images/mine/6dil) | HIV-1 protease with single mutation L76V in complex with tipranavir | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | 著者 | Wong-Sam, A.E, Wang, Y.-F, Weber, I.T. | 登録日 | 2018-05-23 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.482 Å) | 主引用文献 | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
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6DKP
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![BU of 6dkp by Molmil](/molmil-images/mine/6dkp) | The complex among DMF5(alpha-D26Y, alpha-Y50A,beta-L98W) TCR, human Class I MHC HLA-A2 and MART-1(26-35)(A27L) peptide | 分子名称: | Beta-2-microglobulin, DMF5 T-cell Receptor Alpha Chain fusion, DMF5 T-cell Receptor Beta Chain fusion, ... | 著者 | Hellman, L.M, Singh, N.K. | 登録日 | 2018-05-30 | 公開日 | 2019-04-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.966 Å) | 主引用文献 | Improving T Cell Receptor On-Target Specificity via Structure-Guided Design. Mol. Ther., 27, 2019
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6D78
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![BU of 6d78 by Molmil](/molmil-images/mine/6d78) | The complex between high-affinity TCR DMF5(alpha-D26Y,beta-L98W) and human Class I MHC HLA-A2 with the bound MART-1(27-35)peptide | 分子名称: | Beta-2-microglobulin, DMF5 alpha chain,DMF5 alpha chain, DMF5 beta chain,DMF5 beta chain, ... | 著者 | Hellman, L.M, Singh, N.K. | 登録日 | 2018-04-24 | 公開日 | 2019-04-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.347 Å) | 主引用文献 | Improving T Cell Receptor On-Target Specificity via Structure-Guided Design. Mol. Ther., 27, 2019
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6DJ5
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![BU of 6dj5 by Molmil](/molmil-images/mine/6dj5) | HIV-1 protease with mutation L76V in complex with GRL-0519 (tris-tetrahydrofuran as P2 ligand) | 分子名称: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | 著者 | Wong-Sam, A.E, Wang, Y.F, Weber, I.T. | 登録日 | 2018-05-24 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
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6DDF
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![BU of 6ddf by Molmil](/molmil-images/mine/6ddf) | Mu Opioid Receptor-Gi Protein Complex | 分子名称: | DAMGO, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Koehl, A, Hu, H, Maeda, S, Manglik, A, Kobilka, B.K, Skiniotis, G, Weis, W.I. | 登録日 | 2018-05-10 | 公開日 | 2018-06-13 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structure of the mu-opioid receptor-Giprotein complex. Nature, 558, 2018
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4ZHQ
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![BU of 4zhq by Molmil](/molmil-images/mine/4zhq) | |
4ZI7
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![BU of 4zi7 by Molmil](/molmil-images/mine/4zi7) | |
4U8C
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![BU of 4u8c by Molmil](/molmil-images/mine/4u8c) | Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1409 | 分子名称: | 2,2'-benzene-1,4-diylbis[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indole], DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | 著者 | Zhu, W, Oldfield, E. | 登録日 | 2014-08-01 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Antibacterial drug leads: DNA and enzyme multitargeting. J.Med.Chem., 58, 2015
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3TZQ
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![BU of 3tzq by Molmil](/molmil-images/mine/3tzq) | |
4U8B
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![BU of 4u8b by Molmil](/molmil-images/mine/4u8b) | Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1358 | 分子名称: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide | 著者 | Zhu, W, Oldfield, E. | 登録日 | 2014-08-01 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Antibacterial drug leads: DNA and enzyme multitargeting. J.Med.Chem., 58, 2015
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4U8A
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![BU of 4u8a by Molmil](/molmil-images/mine/4u8a) | Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1503 | 分子名称: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, N,N'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide | 著者 | Zhu, W, Oldfield, E. | 登録日 | 2014-08-01 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Antibacterial drug leads: DNA and enzyme multitargeting. J.Med.Chem., 58, 2015
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4U82
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![BU of 4u82 by Molmil](/molmil-images/mine/4u82) | Structure of S. aureus undecaprenyl diphosphate synthase in complex with FSPP and sulfate | 分子名称: | Isoprenyl transferase, MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, ... | 著者 | Zhu, W, Oldfield, E. | 登録日 | 2014-07-31 | 公開日 | 2015-02-04 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Antibacterial drug leads: DNA and enzyme multitargeting. J.Med.Chem., 58, 2015
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3UCX
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![BU of 3ucx by Molmil](/molmil-images/mine/3ucx) | |
6LB9
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![BU of 6lb9 by Molmil](/molmil-images/mine/6lb9) | Magnesium ion-bound SspB crystal structure | 分子名称: | DUF4007 domain-containing protein, MAGNESIUM ION | 著者 | Liqiong, L, Yubing, Z. | 登録日 | 2019-11-13 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.227 Å) | 主引用文献 | SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities. Nat Microbiol, 5, 2020
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5JYY
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![BU of 5jyy by Molmil](/molmil-images/mine/5jyy) | Structure-based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-resistant Influenza Viruses | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2-enon ic acid, CALCIUM ION, ... | 著者 | Fu, L, Wu, Y, Bi, Y, Zhang, S, Lv, X, Qi, J, Li, Y, Lu, X, Yan, J, Gao, G.F, Li, X. | 登録日 | 2016-05-15 | 公開日 | 2016-06-29 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-Resistant Influenza Viruses J.Med.Chem., 59, 2016
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2XWC
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![BU of 2xwc by Molmil](/molmil-images/mine/2xwc) | Crystal structure of the DNA binding domain of human TP73 refined at 1.8 A resolution | 分子名称: | GLYCEROL, TRIS(HYDROXYETHYL)AMINOMETHANE, TUMOUR PROTEIN P73, ... | 著者 | Canning, P, Zhang, Y, Vollmar, M, Krojer, T, Ugochukwu, E, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | 登録日 | 2010-11-03 | 公開日 | 2010-11-17 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structural Basis for Aspp2 Recognition by the Tumor Suppressor P73. J.Mol.Biol., 423, 2012
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7D14
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![BU of 7d14 by Molmil](/molmil-images/mine/7d14) | Mouse KCC2 | 分子名称: | Solute carrier family 12 member 5 | 著者 | Zhang, S, Yang, M. | 登録日 | 2020-09-13 | 公開日 | 2021-04-14 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | The structural basis of function and regulation of neuronal cotransporters NKCC1 and KCC2. Commun Biol, 4, 2021
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7D10
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![BU of 7d10 by Molmil](/molmil-images/mine/7d10) | Human NKCC1 | 分子名称: | PALMITIC ACID, Solute carrier family 12 member 2 | 著者 | Zhang, S, Yang, M. | 登録日 | 2020-09-12 | 公開日 | 2021-04-14 | 最終更新日 | 2024-05-29 | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | 主引用文献 | The structural basis of function and regulation of neuronal cotransporters NKCC1 and KCC2. Commun Biol, 4, 2021
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