6JPD
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![BU of 6jpd by Molmil](/molmil-images/mine/6jpd) | Mouse receptor-interacting protein kinase 3 (RIP3) amyloid structure by solid-state NMR | Descriptor: | Receptor-interacting serine/threonine-protein kinase 3 | Authors: | Wu, X.L, Hu, H, Zhang, J, Dong, X.Q, Wang, J, Schwieters, C, Wang, H.Y, Lu, J.X. | Deposit date: | 2019-03-26 | Release date: | 2020-10-28 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | The amyloid structure of mouse RIPK3 (receptor interacting protein kinase 3) in cell necroptosis. Nat Commun, 12, 2021
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1FXQ
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![BU of 1fxq by Molmil](/molmil-images/mine/1fxq) | AQUIFEX AEOLICUS KDO8P SYNTHASE IN COMPLEX WITH PEP AND A5P | Descriptor: | 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE, ARABINOSE-5-PHOSPHATE, PHOSPHOENOLPYRUVATE | 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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2VPH
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![BU of 2vph by Molmil](/molmil-images/mine/2vph) | Crystal structure of the human protein tyrosine phosphatase, non- receptor type 4, PDZ domain | Descriptor: | TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 4 | Authors: | Roos, A.K, Wang, J, Burgess-Brown, N, Elkins, J.M, Kavanagh, K, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Bountra, C, Knapp, S. | Deposit date: | 2008-02-29 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Human Protein Tyrosine Phosphatase, Non-Receptor Type 4, Pdz Domain To be Published
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5K6Q
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![BU of 5k6q by Molmil](/molmil-images/mine/5k6q) | Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase catalytic subunit | Descriptor: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ... | Authors: | Garcia, M.D, Wang, J.-G, Lonhienne, T, Guddat, L.W. | Deposit date: | 2016-05-25 | Release date: | 2017-05-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.952 Å) | Cite: | Crystal structure of plant acetohydroxyacid synthase, the target for several commercial herbicides. FEBS J., 284, 2017
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3KVW
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![BU of 3kvw by Molmil](/molmil-images/mine/3kvw) | Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand | Descriptor: | (2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Authors: | Filippakopoulos, P, Myrianthopoulos, V, Kritsanida, M, Magiatis, P, Skaltsounis, A.L, Soundararajan, M, Krojer, T, Gileadi, O, Hapka, E, Fedorov, O, Berridge, G, Wang, J, Shrestha, L, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Mikros, E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-11-30 | Release date: | 2010-01-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand To be Published
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2X18
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![BU of 2x18 by Molmil](/molmil-images/mine/2x18) | The crystal structure of the PH domain of human AKT3 protein kinase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, RAC-GAMMA SERINE/THREONINE-PROTEIN KINASE | Authors: | Vollmar, M, Wang, J, Zhang, Y, Elkins, J.M, Burgess-Brown, N, Chaikuad, A, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | Deposit date: | 2009-12-22 | Release date: | 2010-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | The Crystal Structure of the Ph Domain of Human Akt3 Protein Kinase To be Published
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3TIB
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![BU of 3tib by Molmil](/molmil-images/mine/3tib) | Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with laninamivir octanoate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, ... | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | Deposit date: | 2011-08-20 | Release date: | 2011-11-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition Plos Pathog., 7, 2011
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1FWN
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![BU of 1fwn by Molmil](/molmil-images/mine/1fwn) | AQUIFEX AEOLICUS KDO8P SYNTHASE IN COMPLEX WITH PEP | Descriptor: | 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE, PHOSPHATE ION, PHOSPHOENOLPYRUVATE | Authors: | Duewel, H.S, Radaev, S, Wang, J, Woodard, R.W, Gatti, D.L. | Deposit date: | 2000-09-23 | Release date: | 2001-04-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.94 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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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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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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3TIC
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![BU of 3tic by Molmil](/molmil-images/mine/3tic) | Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with zanamivir | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | Deposit date: | 2011-08-20 | Release date: | 2011-11-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition Plos Pathog., 7, 2011
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3PZ7
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![BU of 3pz7 by Molmil](/molmil-images/mine/3pz7) | |
3TIA
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![BU of 3tia by Molmil](/molmil-images/mine/3tia) | Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with laninamivir | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, ... | Authors: | Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F. | Deposit date: | 2011-08-20 | Release date: | 2011-11-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition Plos Pathog., 7, 2011
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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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2EX3
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![BU of 2ex3 by Molmil](/molmil-images/mine/2ex3) | Bacteriophage phi29 DNA polymerase bound to terminal protein | Descriptor: | DNA polymerase, DNA terminal protein, LEAD (II) ION | Authors: | Kamtekar, S, Berman, A.J, Wang, J, de Vega, M, Blanco, L, Salas, M, Steitz, T.A. | Deposit date: | 2005-11-07 | Release date: | 2006-03-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The phi29 DNA polymerase:protein-primer structure suggests a model for the initiation to elongation transition Embo J., 25, 2006
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3V6T
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![BU of 3v6t by Molmil](/molmil-images/mine/3v6t) | Crystal structure of the DNA-bound dHax3, a TAL effector, at 1.85 angstrom | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), dHax3 | Authors: | Deng, D, Yan, C.Y, Pan, X.J, Wang, J.W, Yan, N, Shi, Y.G. | Deposit date: | 2011-12-20 | Release date: | 2012-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Basis for Sequence-Specific Recognition of DNA by TAL Effectors Science, 2012
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7RZC
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![BU of 7rzc by Molmil](/molmil-images/mine/7rzc) | Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor | Descriptor: | (1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-08-27 | Release date: | 2021-09-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor To be Published
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7SDR
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![BU of 7sdr by Molmil](/molmil-images/mine/7sdr) | Papain-Like Protease of SARS CoV-2 in Complex with Jun9-72-2 Inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol, CHLORIDE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-09-29 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Papain-Like Protease of SARS CoV-2 in Complex with Jun9-72-2 Inhibitor To be Published
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1P53
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![BU of 1p53 by Molmil](/molmil-images/mine/1p53) | The Crystal Structure of ICAM-1 D3-D5 fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Intercellular adhesion molecule-1 | Authors: | Yang, Y, Jun, C.D, Liu, J.H, Zhang, R, Jochimiak, A, Springer, T.A, Wang, J.H. | Deposit date: | 2003-04-24 | Release date: | 2004-05-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Structural basis for dimerization of ICAM-1 on the cell surface. Mol.Cell, 14, 2004
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1R5H
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![BU of 1r5h by Molmil](/molmil-images/mine/1r5h) | Crystal Structure of MetAP2 complexed with A320282 | Descriptor: | MANGANESE (II) ION, Methionine aminopeptidase 2, N'-(2S,3R)-3-AMINO-4-CYCLOHEXYL-2-HYDROXY-BUTANO-N-(4-METHYLPHENYL)HYDRAZIDE | Authors: | Sheppard, G.S, Wang, J, Kawai, M, BaMaung, N.Y, Craig, R.A, Erickson, S.A, Lynch, L, Patel, J, Yang, F, Searle, X.B, Lou, P, Park, C, Kim, K.H, Henkin, J, Lesniewski, R. | Deposit date: | 2003-10-10 | Release date: | 2004-10-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 3-Amino-2-hydroxyamides and related compounds as inhibitors of methionine aminopeptidase-2. Bioorg.Med.Chem.Lett., 14, 2004
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1R58
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![BU of 1r58 by Molmil](/molmil-images/mine/1r58) | Crystal Structure of MetAP2 complexed with A357300 | Descriptor: | MANGANESE (II) ION, Methionine aminopeptidase 2, N'-((2S,3R)-3-AMINO-2-HYDROXY-5-(ISOPROPYLSULFANYL)PENTANOYL)-N-3-CHLOROBENZOYL HYDRAZIDE | Authors: | Sheppard, G.S, Wang, J, Kawai, M, BaMaung, N.Y, Craig, R.A, Ericken, S.A, Lynch, L, Patel, J, Yang, F, Searle, X.B, Lou, P, Park, C, Kim, K.H, Henkin, J, Lesniewski, R. | Deposit date: | 2003-10-09 | Release date: | 2004-10-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 3-Amino-2-hydroxyamides and related compounds as inhibitors of methionine aminopeptidase-2. Bioorg.Med.Chem.Lett., 14, 2004
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5IND
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![BU of 5ind by Molmil](/molmil-images/mine/5ind) | Crystal structure of HLA-B5801, a protective HLA allele for HIV-1 infection | Descriptor: | Beta-2-microglobulin, GLN-ALA-SER-GLN-ASP-VAL-LYS-ASN-TRP, HLA class I histocompatibility antigen, ... | Authors: | Li, X, Wang, J.-H. | Deposit date: | 2016-03-07 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.132 Å) | Cite: | Crystal structure of HLA-B*5801, a protective HLA allele for HIV-1 infection. Protein Cell, 7, 2016
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6YG7
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![BU of 6yg7 by Molmil](/molmil-images/mine/6yg7) | Crystal structure of MKK7 (MAP2K7) covalently bound with type-II inhibitor SB1-G-23 | Descriptor: | 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7, ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide | Authors: | Chaikuad, A, Tan, L, Wang, J, Liang, Y, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-03-27 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities. Cell Chem Biol, 27, 2020
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7SQE
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![BU of 7sqe by Molmil](/molmil-images/mine/7sqe) | Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with Jun9-84-3 inhibitor | Descriptor: | (1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-11-05 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with Jun9-84-3 inhibitor To be Published
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5INC
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![BU of 5inc by Molmil](/molmil-images/mine/5inc) | Crystal structure of HLA-B5801, a protective HLA allele for HIV-1 infection | Descriptor: | Beta-2-microglobulin, GLN-ALA-THR-GLN-GLU-VAL-LYS-ASN-TRP, HLA class I histocompatibility antigen, ... | Authors: | Li, X, Wang, J.-H. | Deposit date: | 2016-03-07 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.881 Å) | Cite: | Crystal structure of HLA-B*5801, a protective HLA allele for HIV-1 infection. Protein Cell, 7, 2016
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