6PX6
| HLA-TCR complex | Descriptor: | DQ2.2-glut-L1, HLA class II histocompatibility antigen DQ alpha chain, HLA class II histocompatibility antigen DQ beta chain, ... | Authors: | Ting, Y.T, Reid, H.H, Rossjohn, J. | Deposit date: | 2019-07-24 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.00000334 Å) | Cite: | A molecular basis for the T cell response in HLA-DQ2.2 mediated celiac disease. Proc.Natl.Acad.Sci.USA, 117, 2020
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6SLG
| HUMAN ERK2 WITH ERK1/2 INHIBITOR, AZD0364. | Descriptor: | (6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one, 1,2-ETHANEDIOL, ERK-tide, ... | Authors: | Breed, J, Phillips, C. | Deposit date: | 2019-08-19 | Release date: | 2019-11-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Discovery of a Potent and Selective Oral Inhibitor of ERK1/2 (AZD0364) That Is Efficacious in Both Monotherapy and Combination Therapy in Models of Nonsmall Cell Lung Cancer (NSCLC). J.Med.Chem., 62, 2019
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2XUS
| Crystal Structure of the BRMS1 N-terminal region | Descriptor: | BREAST CANCER METASTASIS-SUPPRESSOR 1, CHLORIDE ION, SULFATE ION | Authors: | Spinola-Amilibia, M, Rivera, J, Ortiz-Lombardia, M, Romero, A, Neira, J.L, Bravo, J. | Deposit date: | 2010-10-20 | Release date: | 2011-07-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.912 Å) | Cite: | The Structure of Brms1 Nuclear Export Signal and Snx6 Interacting Region Reveals a Hexamer Formed by Antiparallel Coiled Coils. J.Mol.Biol., 411, 2011
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5Y56
| Fc mutant (K392D/K409D/D399K) | Descriptor: | Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[beta-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Ye, S, Xu, T, Yu, J, Wang, X, Xu, T, Jin, Q, Duan, J, Wu, J, Wu, H. | Deposit date: | 2017-08-07 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.653 Å) | Cite: | A rational approach to enhancing antibody Fc homodimer formation for robust production of antibody mixture in a single cell line J. Biol. Chem., 292, 2017
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6SMU
| Structure of the native full-length HIV-1 capsid protein in helical assembly (-13,12) | Descriptor: | Gag protein | Authors: | Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P. | Deposit date: | 2019-08-22 | Release date: | 2020-09-09 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A. Nat.Struct.Mol.Biol., 27, 2020
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8BBS
| Structure of AKR1C3 in complex with a bile acid fused tetrazole inhibitor | Descriptor: | (4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Petri, E.T, Skerlova, J, Marinovic, M, Brynda, J, Kugler, M, Skoric, D, Bekic, S, Celic, A.S, Rezacova, P. | Deposit date: | 2022-10-14 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | X-ray structure of human aldo-keto reductase 1C3 in complex with a bile acid fused tetrazole inhibitor: experimental validation, molecular docking and structural analysis. Rsc Med Chem, 14, 2023
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6PW0
| Cytochrome C oxidase delta 6 mutant | Descriptor: | (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ... | Authors: | Liu, J, Ferguson-Miller, S. | Deposit date: | 2019-07-21 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural changes at the surface of cytochrome c oxidase alter the proton-pumping stoichiometry. Biochim Biophys Acta Bioenerg, 1861, 2019
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8G62
| Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004 | Descriptor: | 3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide, ACETATE ION, CHLORIDE ION, ... | Authors: | Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Luci, D, Kales, S, Simeonov, A, Rai, G, Drayman, N, Tay, S, Oakes, S, Rosner, M, Chen, B, Dulin, N, Solway, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2023-02-14 | Release date: | 2023-02-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004 To Be Published
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6QBG
| Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 14 | Descriptor: | (3~{S},7~{S},8~{S})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brynda, J, Houstecka, R, Majer, P, Mares, M. | Deposit date: | 2018-12-21 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis. J.Med.Chem., 63, 2020
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5JYY
| Structure-based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-resistant Influenza Viruses | Descriptor: | 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, ... | Authors: | Fu, L, Wu, Y, Bi, Y, Zhang, S, Lv, X, Qi, J, Li, Y, Lu, X, Yan, J, Gao, G.F, Li, X. | Deposit date: | 2016-05-15 | Release date: | 2016-06-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-Resistant Influenza Viruses J.Med.Chem., 59, 2016
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6TRP
| Solution Structure of Docking Domain Complex of Pax NRPS: PaxC NDD - PaxB CDD | Descriptor: | Peptide synthetase XpsB,Peptide synthetase XpsB | Authors: | Watzel, J, Hacker, C, Duchardt-Ferner, E, Bode, H.B, Woehnert, J. | Deposit date: | 2019-12-19 | Release date: | 2020-08-12 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | A New Docking Domain Type in the Peptide-Antimicrobial-Xenorhabdus Peptide Producing Nonribosomal Peptide Synthetase fromXenorhabdus bovienii. Acs Chem.Biol., 15, 2020
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4RWG
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5D11
| Kinase domain of cSrc in complex with RL235 | Descriptor: | GLYCEROL, N-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Becker, C, Gruetter, C, Engel, J, Rauh, D. | Deposit date: | 2015-08-03 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach. J.Med.Chem., 58, 2015
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4ZMK
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7VTC
| Crystal structure of MERS main protease in complex with PF07321332 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Zhang, J, Li, J. | Deposit date: | 2021-10-28 | Release date: | 2022-03-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53865623 Å) | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
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7VLQ
| Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P212121 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Zhang, J, Li, J. | Deposit date: | 2021-10-05 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.939106 Å) | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
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7VLO
| Crystal structure of SARS coronavirus main protease in complex with PF07321332 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | Deposit date: | 2021-10-05 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.0227 Å) | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
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7VLP
| Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P1211 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, Replicase polyprotein 1a | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J. | Deposit date: | 2021-10-05 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.50251937 Å) | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332. J.Virol., 96, 2022
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7PP8
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8FZQ
| Dehosphorylated, ATP-bound human cystic fibrosis transmembrane conductance regulator (CFTR) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Levring, J, Terry, D.S, Kilic, Z, Fitzgerald, G.A, Blanchard, S.C, Chen, J. | Deposit date: | 2023-01-29 | Release date: | 2023-03-29 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | CFTR function, pathology and pharmacology at single-molecule resolution. Nature, 616, 2023
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1A75
| WHITING PARVALBUMIN | Descriptor: | CALCIUM ION, PARVALBUMIN | Authors: | Declercq, J.P, Baneres, J.L, Rambaud, J, Parello, J. | Deposit date: | 1998-03-19 | Release date: | 1998-06-17 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tertiary Structure of a Trp-Containing Parvalbumin from Whiting (Merlangius Merlangus). Description of the Hydrophobic Core To be Published
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7UDB
| Cryo-EM structure of a synaptobrevin-Munc18-1-syntaxin-1 complex class 2 | Descriptor: | Synaptobrevin-2, Syntaxin-1A, Syntaxin-binding protein 1 | Authors: | Rizo, J, Bai, X, Stepien, K.P, Xu, J, Zhang, X. | Deposit date: | 2022-03-18 | Release date: | 2022-04-06 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | SNARE assembly enlightened by cryo-EM structures of a synaptobrevin-Munc18-1-syntaxin-1 complex. Sci Adv, 8, 2022
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7UDC
| cryo-EM structures of a synaptobrevin-Munc18-1-syntaxin-1 complex class1 | Descriptor: | Synaptobrevin-2, Syntaxin-1A, Syntaxin-binding protein 1 | Authors: | Rizo, J, Bai, X, Stepien, K.P, Xu, J, Zhang, X. | Deposit date: | 2022-03-18 | Release date: | 2022-04-06 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | SNARE assembly enlightened by cryo-EM structures of a synaptobrevin-Munc18-1-syntaxin-1 complex. Sci Adv, 8, 2022
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5JGC
| Crystal structure of the rice Topless related protein 2 (TPR2) N-terminal topless domain (1-209) L111A, L130A, L179A and I195A mutant | Descriptor: | Protein TPR1, ZINC ION | Authors: | Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K. | Deposit date: | 2016-04-20 | Release date: | 2017-07-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | A D53 repression motif induces oligomerization of TOPLESS corepressors and promotes assembly of a corepressor-nucleosome complex. Sci Adv, 3, 2017
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7UPI
| Cryo-EM structure of SHOC2-PP1c-MRAS holophosphatase complex | Descriptor: | CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, Leucine-rich repeat protein SHOC-2, ... | Authors: | Fuller, J.R, Hajian, B, Lemke, C, Kwon, J, Bian, Y, Aguirre, A. | Deposit date: | 2022-04-15 | Release date: | 2022-05-04 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex. Nature, 609, 2022
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