7OR9
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![BU of 7or9 by Molmil](/molmil-images/mine/7or9) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and COVOX-278 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab heavy chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-06-04 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum. Cell, 184, 2021
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7ORA
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![BU of 7ora by Molmil](/molmil-images/mine/7ora) | Crystal structure of the T478K mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-45 and COVOX-253 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-253 Fab heavy chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-06-04 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum. Cell, 184, 2021
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4M5E
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![BU of 4m5e by Molmil](/molmil-images/mine/4m5e) | Tse3 structure | Descriptor: | CADMIUM ION, CALCIUM ION, GLYCEROL, ... | Authors: | Qian, Y. | Deposit date: | 2013-08-08 | Release date: | 2014-04-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism Mol.Microbiol., 92, 2014
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4YFI
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![BU of 4yfi by Molmil](/molmil-images/mine/4yfi) | TNNI3K complexed with inhibitor 1 | Descriptor: | N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K | Authors: | Shewchuk, L.M, Wang, L, Lawhorn, B.G. | Deposit date: | 2015-02-25 | Release date: | 2015-09-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K). J.Med.Chem., 58, 2015
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5KCC
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![BU of 5kcc by Molmil](/molmil-images/mine/5kcc) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Oxabicyclic Heptene Sulfonamide (OBHS-N) | Descriptor: | (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2016-06-06 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.386 Å) | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
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3BWN
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![BU of 3bwn by Molmil](/molmil-images/mine/3bwn) | L-tryptophan aminotransferase | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, L-tryptophan aminotransferase, PHENYLALANINE, ... | Authors: | Ferrer, J.-L, Noel, J.P, Pojer, F, Bowman, M, Chory, J, Tao, Y. | Deposit date: | 2008-01-10 | Release date: | 2008-04-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Rapid synthesis of auxin via a new tryptophan-dependent pathway is required for shade avoidance in plants Cell(Cambridge,Mass.), 133, 2008
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6KHO
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![BU of 6kho by Molmil](/molmil-images/mine/6kho) | Crystal structure of Oryza sativa TDC with PLP | Descriptor: | ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X. | Deposit date: | 2019-07-16 | Release date: | 2020-07-15 | Method: | X-RAY DIFFRACTION (1.972 Å) | Cite: | Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis. J Adv Res, 24, 2020
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5WSH
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![BU of 5wsh by Molmil](/molmil-images/mine/5wsh) | Structure of HLA-A2 P130 | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLY-VAL-TRP-ILE-ARG-THR-PRO-THR-ALA, ... | Authors: | Zhang, Y, Wu, Y, Qi, J, Liu, J, Gao, G.F, Meng, S. | Deposit date: | 2016-12-07 | Release date: | 2017-12-20 | Last modified: | 2019-01-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CD8+T-Cell Response-Associated Evolution of Hepatitis B Virus Core Protein and Disease Progress. J. Virol., 92, 2018
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4YFF
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![BU of 4yff by Molmil](/molmil-images/mine/4yff) | TNNI3K complexed with inhibitor 2 | Descriptor: | 3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K | Authors: | Shewchuk, L.M, Wang, L, Lawhorn, B.G. | Deposit date: | 2015-02-25 | Release date: | 2015-09-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K). J.Med.Chem., 58, 2015
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6KHN
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![BU of 6khn by Molmil](/molmil-images/mine/6khn) | Crystal structure of Oryza sativa TDC with PLP and SEROTONIN | Descriptor: | ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Zhou, Y.Z, Liao, L.J, Liu, X.K, Guo, Y, Zhao, Y.C, Zeng, Z.X. | Deposit date: | 2019-07-16 | Release date: | 2020-07-15 | Method: | X-RAY DIFFRACTION (2.293 Å) | Cite: | Crystal structure ofOryza sativaTDC reveals the substrate specificity for TDC-mediated melatonin biosynthesis. J Adv Res, 24, 2020
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6LU7
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![BU of 6lu7 by Molmil](/molmil-images/mine/6lu7) | The crystal structure of COVID-19 main protease in complex with an inhibitor N3 | Descriptor: | 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | Authors: | Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z. | Deposit date: | 2020-01-26 | Release date: | 2020-02-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors. Nature, 582, 2020
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2EXX
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![BU of 2exx by Molmil](/molmil-images/mine/2exx) | Crystal structure of HSCARG from Homo sapiens in complex with NADP | Descriptor: | GLYCEROL, HSCARG protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Dai, X, Chen, Q, Yao, D, Liang, Y, Dong, Y, Gu, X, Zheng, X, Luo, M. | Deposit date: | 2005-11-09 | Release date: | 2006-11-21 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Restructuring of the dinucleotide-binding fold in an NADP(H) sensor protein. Proc.Natl.Acad.Sci.USA, 104, 2007
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3TZF
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3TYZ
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3TZN
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6XEU
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![BU of 6xeu by Molmil](/molmil-images/mine/6xeu) | CryoEM structure of GIRK2PIP2* - G protein-gated inwardly rectifying potassium channel GIRK2 with PIP2 | Descriptor: | G protein-activated inward rectifier potassium channel 2, POTASSIUM ION, SODIUM ION, ... | Authors: | Mathiharan, Y.K, Glaaser, I.W, Skiniotis, G, Slesinger, P.A. | Deposit date: | 2020-06-13 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insights into GIRK2 channel modulation by cholesterol and PIP2 Cell Rep, 36, 2021
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6XEV
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![BU of 6xev by Molmil](/molmil-images/mine/6xev) | CryoEM structure of GIRK2-PIP2/CHS - G protein-gated inwardly rectifying potassium channel GIRK2 with modulators cholesteryl hemisuccinate and PIP2 | Descriptor: | CHOLESTEROL HEMISUCCINATE, G protein-activated inward rectifier potassium channel 2, POTASSIUM ION, ... | Authors: | Mathiharan, Y.K, Glaaser, I.W, Skiniotis, G, Slesinger, P.A. | Deposit date: | 2020-06-14 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural insights into GIRK2 channel modulation by cholesterol and PIP2 Cell Rep, 36, 2021
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6XJY
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6XJQ
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![BU of 6xjq by Molmil](/molmil-images/mine/6xjq) | Crystal structure of a self-alkylating ribozyme - alkylated form with biotinylated epoxide substrate | Descriptor: | 2-{[(4R)-4-hydroxyhexyl]oxy}ethyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate, Fab HAVx Heavy Chain, Fab HAVx Light Chain, ... | Authors: | Koirala, D, Piccirilli, J.A. | Deposit date: | 2020-06-24 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.708 Å) | Cite: | Structural basis for substrate binding and catalysis by a self-alkylating ribozyme. Nat.Chem.Biol., 18, 2022
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6XJZ
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6XJW
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6ET4
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![BU of 6et4 by Molmil](/molmil-images/mine/6et4) | HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH NOVEL INHIBITOR | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, ACETIC ACID, CHLORIDE ION, ... | Authors: | Hakansson, M, Walse, B, Gustavsson, A.-L, Lain, S. | Deposit date: | 2017-10-25 | Release date: | 2018-03-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A DHODH inhibitor increases p53 synthesis and enhances tumor cell killing by p53 degradation blockage. Nat Commun, 9, 2018
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5Y83
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![BU of 5y83 by Molmil](/molmil-images/mine/5y83) | Crystal structure of YidC from Thermotoga maritima | Descriptor: | Membrane protein insertase YidC | Authors: | Huang, Y, Xin, Y. | Deposit date: | 2017-08-18 | Release date: | 2018-07-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.842 Å) | Cite: | Structure of YidC from Thermotoga maritima and its implications for YidC-mediated membrane protein insertion FASEB J., 32, 2018
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6YUW
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![BU of 6yuw by Molmil](/molmil-images/mine/6yuw) | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 454 | Descriptor: | 1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Ruza, R.R, Hillier, J, Jones, E.Y. | Deposit date: | 2020-04-27 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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6YV2
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![BU of 6yv2 by Molmil](/molmil-images/mine/6yv2) | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLIDINE-3-CARBOXYLIC ACID FRAGMENT 598 | Descriptor: | (3~{R})-1-phenylpyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ruza, R.R, Hillier, J, Jones, E.Y. | Deposit date: | 2020-04-27 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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