1M4B
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![BU of 1m4b by Molmil](/molmil-images/mine/1m4b) | Crystal Structure of Human Interleukin-2 K43C Covalently Modified at C43 with 2-[2-(2-Cyclohexyl-2-guanidino-acetylamino)-acetylamino]-N-(3-mercapto-propyl)-propionamide | Descriptor: | 2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE, interleukin-2 | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | Deposit date: | 2002-07-02 | Release date: | 2002-07-31 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Binding of small molecules to an adaptive
protein-protein interface Proc.Natl.Acad.Sci.USA, 100, 2003
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1YYB
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1WBZ
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![BU of 1wbz by Molmil](/molmil-images/mine/1wbz) | CRYSTAL STRUCTURES OF MURINE MHC CLASS I H-2 Db AND Kb MOLECULES IN COMPLEX WITH CTL EPITOPES FROM INFLUENZA A VIRUS: IMPLICATIONS FOR TCR REPERTOIRE SELECTION AND IMMUNODOMINANCE | Descriptor: | BETA-2MICROGLOBULIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN PRECURSOR, ... | Authors: | Meijers, R, Lai, C, Yang, Y, Liu, J, Zhong, W, Wang, J, Reinherz, E.L. | Deposit date: | 2004-11-05 | Release date: | 2005-01-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Murine Mhc Class I H-2 D(B) and K(B) Molecules in Complex with Ctl Epitopes from Influenza a Virus: Implications for Tcr Repertoire Selection and Immunodominance J.Mol.Biol., 345, 2005
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1WBX
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![BU of 1wbx by Molmil](/molmil-images/mine/1wbx) | CRYSTAL STRUCTURES OF MURINE MHC CLASS I H-2 Db AND Kb MOLECULES IN COMPLEX WITH CTL EPITOPES FROM INFLUENZA A VIRUS: IMPLICATIONS FOR TCR REPERTOIRE SELECTION AND IMMUNODOMINANCE | Descriptor: | BETA-2MICROGLOBULIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, D-B ALPHA CHAIN, ... | Authors: | Meijers, R, Lai, C, Yang, Y, Liu, J, Zhong, W, Wang, J, Reinherz, E.L. | Deposit date: | 2004-11-05 | Release date: | 2005-01-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Murine Mhc Class I H-2 D(B) and K(B) Molecules in Complex with Ctl Epitopes from Influenza a Virus: Implications for Tcr Repertoire Selection and Immunodominance J.Mol.Biol., 345, 2005
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7JI2
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![BU of 7ji2 by Molmil](/molmil-images/mine/7ji2) | Crystal Structure of H2-Kb in complex with a OVA mutant peptide | Descriptor: | Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ... | Authors: | Li, X, Mallis, R.J, Mizsei, R, Tan, K, Reinherz, E.L, Wang, J. | Deposit date: | 2020-07-22 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pre-T cell receptors topologically sample self-ligands during thymocyte beta-selection. Science, 371, 2021
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5ZAP
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![BU of 5zap by Molmil](/molmil-images/mine/5zap) | Atomic structure of the herpes simplex virus type 2 B-capsid | Descriptor: | Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ... | Authors: | Yuan, S, Wang, J.L, Zhu, D.J, Wang, N, Gao, Q, Chen, W.Y, Tang, H, Wang, J.Z, Zhang, X.Z, Liu, H.R, Rao, Z.H, Wang, X.X. | Deposit date: | 2018-02-08 | Release date: | 2018-04-18 | Last modified: | 2018-09-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structure of a herpesvirus capsid at 3.1 angstrom. Science, 360, 2018
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3F74
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![BU of 3f74 by Molmil](/molmil-images/mine/3f74) | Crystal structure of wild type LFA1 I domain | Descriptor: | GLYCEROL, Integrin alpha-L, MAGNESIUM ION | Authors: | Zhang, H, Wang, J.-H. | Deposit date: | 2008-11-07 | Release date: | 2009-06-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of isoflurane bound to integrin LFA-1 supports a unified mechanism of volatile anesthetic action in the immune and central nervous systems. Faseb J., 23, 2009
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3RT0
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![BU of 3rt0 by Molmil](/molmil-images/mine/3rt0) | Crystal structure of PYL10-HAB1 complex in the absence of abscisic acid (ABA) | Descriptor: | Abscisic acid receptor PYL10, MAGNESIUM ION, Protein phosphatase 2C 16 | Authors: | Hao, Q, Yin, P, Li, W, Wang, L, Yan, C, Wang, J, Yan, N. | Deposit date: | 2011-05-02 | Release date: | 2011-06-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.113 Å) | Cite: | The Molecular Basis of ABA-Independent Inhibition of PP2Cs by a Subclass of PYL Proteins Mol.Cell, 42, 2011
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6ILD
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![BU of 6ild by Molmil](/molmil-images/mine/6ild) | Crystal Structure of Human LysRS: P38/AIMP2 Complex II | Descriptor: | 5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine, Aminoacyl tRNA synthase complex-interacting multifunctional protein 2, GLYCEROL, ... | Authors: | Hei, Z, Liu, Z, Wang, J, Fang, P. | Deposit date: | 2018-10-17 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.882 Å) | Cite: | Retractile lysyl-tRNA synthetase-AIMP2 assembly in the human multi-aminoacyl-tRNA synthetase complex. J. Biol. Chem., 294, 2019
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2BM2
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![BU of 2bm2 by Molmil](/molmil-images/mine/2bm2) | human beta-II tryptase in complex with 4-(3-Aminomethyl-phenyl)- piperidin-1-yl-(5-phenethyl- pyridin-3-yl)-methanone | Descriptor: | 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE, HUMAN BETA2 TRYPTASE | Authors: | Maignan, S, Guilloteau, J.-P, Dupuy, A, Levell, J, Astles, P, Eastwood, P, Cairns, J, Houille, O, Aldous, S, Merriman, G, Whiteley, B, Pribish, J, Czekaj, M, Liang, G, Davidson, J, Harrison, T, Morley, A, Watson, S, Fenton, G, Mccarthy, C, Romano, J, Mathew, R, Engers, D, Gardyan, M, Sides, K, Kwong, J, Tsay, J, Rebello, S, Shen, L, Wang, J, Luo, Y, Giardino, O, Lim, H.-K, Smith, K, Pauls, H. | Deposit date: | 2005-03-09 | Release date: | 2005-03-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure Based Design of 4-(3-Aminomethylphenyl) Piperidinyl-1-Amides: Novel, Potent, Selective, and Orally Bioavailable Inhibitors of Bii Tryptase Bioorg.Med.Chem., 13, 2005
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3R45
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![BU of 3r45 by Molmil](/molmil-images/mine/3r45) | Structure of a CENP-A-Histone H4 Heterodimer in complex with chaperone HJURP | Descriptor: | GLYCEROL, Histone H3-like centromeric protein A, Histone H4, ... | Authors: | Hu, H, Liu, Y, Wang, M, Fang, J, Huang, H, Yang, N, Li, Y, Wang, J, Yao, X, Shi, Y, Li, G, Xu, R.M. | Deposit date: | 2011-03-17 | Release date: | 2011-04-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of a CENP-A-histone H4 heterodimer in complex with chaperone HJURP Genes Dev., 25, 2011
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3HI6
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4YNZ
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![BU of 4ynz by Molmil](/molmil-images/mine/4ynz) | Structure of the N-terminal domain of SAD | Descriptor: | Serine/threonine-protein kinase BRSK2 | Authors: | Wu, J.X, Wang, J, Chen, L, Wang, Z.X, Wu, J.W. | Deposit date: | 2015-03-11 | Release date: | 2015-12-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insight into the mechanism of synergistic autoinhibition of SAD kinases Nat Commun, 6, 2015
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3PXG
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![BU of 3pxg by Molmil](/molmil-images/mine/3pxg) | Structure of MecA121 and ClpC1-485 complex | Descriptor: | Adapter protein mecA 1, Negative regulator of genetic competence ClpC/MecB | Authors: | Wang, F, Mei, Z.Q, Wang, J.W, Shi, Y.G. | Deposit date: | 2010-12-09 | Release date: | 2011-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.654 Å) | Cite: | Structure and mechanism of the hexameric MecA-ClpC molecular machine. Nature, 471, 2011
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2O9Q
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![BU of 2o9q by Molmil](/molmil-images/mine/2o9q) | The crystal structure of Bovine Trypsin complexed with a small inhibition peptide ORB2K | Descriptor: | CALCIUM ION, Cationic trypsin, ORB2K, ... | Authors: | Li, J, Zhang, C, Xu, X, Wang, J, Gong, W, Lai, R. | Deposit date: | 2006-12-14 | Release date: | 2007-12-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | From protease inhibitor to antibiotics: single point mutation makes tremendous functional shift To be Published
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1M48
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![BU of 1m48 by Molmil](/molmil-images/mine/1m48) | Crystal Structure of Human IL-2 Complexed with (R)-N-[2-[1-(Aminoiminomethyl)-3-piperidinyl]-1-oxoethyl]-4-(phenylethynyl)-L-phenylalanine methyl ester | Descriptor: | 2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER, interleukin-2 | Authors: | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | Deposit date: | 2002-07-02 | Release date: | 2002-07-31 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Binding of small molecules to an adaptive
protein-protein interface Proc.Natl.Acad.Sci.USA, 100, 2003
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2Z3A
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![BU of 2z3a by Molmil](/molmil-images/mine/2z3a) | Crystal Structure of Bacillus Subtilis CodW, a non-canonical HslV-like peptidase with an impaired catalytic apparatus | Descriptor: | ATP-dependent protease hslV | Authors: | Rho, S.H, Park, H.H, Kang, G.B, Lim, Y.J, Kang, M.S, Lim, B.K, Seong, I.S, Chung, C.H, Wang, J, Eom, S.H. | Deposit date: | 2007-06-03 | Release date: | 2008-03-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of Bacillus subtilis CodW, a noncanonical HslV-like peptidase with an impaired catalytic apparatus Proteins, 71, 2007
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4NCB
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![BU of 4ncb by Molmil](/molmil-images/mine/4ncb) | Structure of Thermus thermophilus Argonaute bound to guide DNA and 19-mer target DNA with Mg2+ | Descriptor: | 5'-D(*TP*AP*TP*AP*CP*AP*AP*CP*C)-3', 5'-D(*TP*AP*TP*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', 5'-D(P*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3', ... | Authors: | Sheng, G, Zhao, H, Wang, J, Rao, Y, Wang, Y. | Deposit date: | 2013-10-24 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.189 Å) | Cite: | Structure-based cleavage mechanism of Thermus thermophilus Argonaute DNA guide strand-mediated DNA target cleavage. Proc.Natl.Acad.Sci.USA, 111, 2014
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1FXP
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![BU of 1fxp by Molmil](/molmil-images/mine/1fxp) | AQUIFEX AEOLICUS KDO8P SYNTHASE IN COMPLEX WITH CADMIUM | Descriptor: | 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE, CADMIUM ION, PHOSPHATE ION | Authors: | Duewel, H.S, Radaev, S, Wang, J, Woodard, R.W, Gatti, D.L. | Deposit date: | 2000-09-26 | Release date: | 2001-04-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Substrate and metal complexes of 3-deoxy-D-manno-octulosonate-8-phosphate synthase from Aquifex aeolicus at 1.9-A resolution. Implications for the condensation mechanism. J.Biol.Chem., 276, 2001
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6WFS
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![BU of 6wfs by Molmil](/molmil-images/mine/6wfs) | Cryo-EM Structure of Hepatitis B virus T=4 capsid in complex with the antiviral molecule DBT1 | Descriptor: | 11-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide, Capsid protein | Authors: | Schlicksup, C, Laughlin, P, Dunkelbarger, S, Wang, J.C, Zlotnick, A. | Deposit date: | 2020-04-03 | Release date: | 2020-06-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Local Stabilization of Subunit-Subunit Contacts Causes Global Destabilization of Hepatitis B Virus Capsids. Acs Chem.Biol., 15, 2020
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1MHW
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![BU of 1mhw by Molmil](/molmil-images/mine/1mhw) | Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides | Descriptor: | 4-biphenylacetyl-Cys-(D)Arg-Tyr-N-(2-phenylethyl) amide, Cathepsin L | Authors: | Chowdhury, S, Sivaraman, J, Wang, J, Devanathan, G, Lachance, P, Qi, H, Menard, R, Lefebvre, J, Konishi, Y, Cygler, M, Sulea, T, Purisima, E.O. | Deposit date: | 2002-08-21 | Release date: | 2002-12-11 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides J.Med.Chem., 45, 2002
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3CD4
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6XFN
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![BU of 6xfn by Molmil](/molmil-images/mine/6xfn) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243 | Descriptor: | 3C-like proteinase, GLYCEROL, UAW243 | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | Deposit date: | 2020-06-15 | Release date: | 2020-06-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L. Sci Adv, 6, 2020
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6XA4
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![BU of 6xa4 by Molmil](/molmil-images/mine/6xa4) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW241 | Descriptor: | 3C-like proteinase, GLYCEROL, inhibitor UAW241 | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | Deposit date: | 2020-06-03 | Release date: | 2020-06-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L. Sci Adv, 6, 2020
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3HI5
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![BU of 3hi5 by Molmil](/molmil-images/mine/3hi5) | Crystal structure of Fab fragment of AL-57 | Descriptor: | Heavy chain of Fab fragment of AL-57 against alpha L I domain, light chain of Fab fragment of AL-57 against alpha L I domain | Authors: | Zhang, H, Wang, J. | Deposit date: | 2009-05-18 | Release date: | 2009-09-22 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of activation-dependent binding of ligand-mimetic antibody AL-57 to integrin LFA-1. Proc.Natl.Acad.Sci.USA, 106, 2009
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