5H3B
 
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5JR9
 | | Crystal structure of apo-NeC3PO | | Descriptor: | NEQ131 | | Authors: | Zhang, J, Gan, J. | | Deposit date: | 2016-05-06 | | Release date: | 2016-09-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for single-stranded RNA recognition and cleavage by C3PO
Nucleic Acids Res., 44, 2016
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7WCL
 | | Crystal structure of FGFR1 kinase domain with Pemigatinib | | Descriptor: | 11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one, Fibroblast growth factor receptor 1, SULFATE ION | | Authors: | Chen, X.J, Lin, Q.M, Jiang, L.Y, Qu, L.Z, Chen, Y.H. | | Deposit date: | 2021-12-20 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.495 Å) | | Cite: | Characterization of the cholangiocarcinoma drug pemigatinib against FGFR gatekeeper mutants.
Commun Chem, 5, 2022
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5CAS
 | | EGFR kinase domain mutant "TMLR" with compound 41a | | Descriptor: | (1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor, SULFATE ION | | Authors: | Eigenbrot, C, Yu, C. | | Deposit date: | 2015-06-29 | | Release date: | 2015-10-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
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5CAP
 | | EGFR kinase domain mutant "TMLR" with compound 30 | | Descriptor: | 2-methyl-N-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor, SULFATE ION | | Authors: | Eigenbrot, C, Yu, C. | | Deposit date: | 2015-06-29 | | Release date: | 2015-10-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
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5C8K
 | | EGFR kinase domain mutant "TMLR" with compound 1 | | Descriptor: | 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor | | Authors: | Eigenbrot, C, Yu, C. | | Deposit date: | 2015-06-25 | | Release date: | 2015-10-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
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7XG7
 | | Crystal structure of PstS protein from cyanophage Syn19 | | Descriptor: | GLYCEROL, PHOSPHATE ION, Phosphate transporter subunit | | Authors: | Cai, K, Jiang, Y.L. | | Deposit date: | 2022-04-03 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Biochemical and structural characterization of the cyanophage-encoded phosphate-binding protein: implications for enhanced phosphate uptake of infected cyanobacteria
Environ.Microbiol., 24, 2022
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5GOM
 | | Truncated mitofusin-1, transition-like state | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GUANOSINE-5'-DIPHOSPHATE, Mitofusin-1 | | Authors: | Cao, Y.L, Gao, S. | | Deposit date: | 2016-07-27 | | Release date: | 2017-02-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.802 Å) | | Cite: | MFN1 structures reveal nucleotide-triggered dimerization critical for mitochondrial fusion
Nature, 542, 2017
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7XG8
 | | Crystal structure of PstS protein from cyanophage P-SSM2 | | Descriptor: | ABC transporter, substrate binding protein, phosphate, ... | | Authors: | Cai, K, Jiang, Y.L. | | Deposit date: | 2022-04-03 | | Release date: | 2023-02-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Biochemical and structural characterization of the cyanophage-encoded phosphate-binding protein: implications for enhanced phosphate uptake of infected cyanobacteria
Environ.Microbiol., 24, 2022
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1COU
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5CAO
 | | EGFR kinase domain mutant "TMLR" with compound 29 | | Descriptor: | Epidermal growth factor receptor, N~2~-[2-methyl-2-(methylsulfonyl)propyl]-N~4~-[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine | | Authors: | Eigenbrot, C, Yu, C. | | Deposit date: | 2015-06-29 | | Release date: | 2015-10-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
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6KCW
 | | Structure of alginate lyase Aly36B | | Descriptor: | Alginate lyase, CALCIUM ION, PHOSPHATE ION | | Authors: | Dong, F, Chen, X.L, Zhang, Y.Z. | | Deposit date: | 2019-06-29 | | Release date: | 2020-06-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Alginate Lyase Aly36B is a New Bacterial Member of the Polysaccharide Lyase Family 36 and Catalyzes by a Novel Mechanism With Lysine as Both the Catalytic Base and Catalytic Acid.
J.Mol.Biol., 431, 2019
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6CWZ
 | | Crystal structure of apo SUMO E1 | | Descriptor: | SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ZINC ION | | Authors: | Lv, Z, Yuan, L, Atkison, J.H, Williams, K.M, Olsen, S.K. | | Deposit date: | 2018-04-01 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Molecular mechanism of a covalent allosteric inhibitor of SUMO E1 activating enzyme.
Nat Commun, 9, 2018
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6KBW
 | | Crystal structure of Tmm from Myroides profundi D25 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethylamine monooxygenase | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2019-06-26 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.686 Å) | | Cite: | Oxidation of trimethylamine to trimethylamine N-oxide facilitates high hydrostatic pressure tolerance in a generalist bacterial lineage.
Sci Adv, 7, 2021
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4NWK
 | | Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide | | Descriptor: | GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ... | | Authors: | Muckelbauer, J.K, Klei, H.E. | | Deposit date: | 2013-12-06 | | Release date: | 2014-03-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
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3D8X
 | | Crystal Structure of Saccharomyces cerevisiae NDPPH Dependent Thioredoxin Reductase 1 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 1 | | Authors: | Zhang, Z.Y, Bao, R, Yu, J, Chen, Y.X, Zhou, C.-Z. | | Deposit date: | 2008-05-26 | | Release date: | 2008-12-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of Saccharomyces cerevisiae cytoplasmic thioredoxin reductase Trr1 reveals the structural basis for species-specific recognition of thioredoxin
Biochim.Biophys.Acta, 1794, 2009
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1M8Q
 | | Molecular Models of Averaged Rigor Crossbridges from Tomograms of Insect Flight Muscle | | Descriptor: | Skeletal muscle Actin, Skeletal muscle Myosin II, Skeletal muscle Myosin II Essential Light Chain, ... | | Authors: | Chen, L.F, Winkler, H, Reedy, M.K, Reedy, M.C, Taylor, K.A. | | Deposit date: | 2002-07-25 | | Release date: | 2002-09-10 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (70 Å) | | Cite: | Molecular modeling of averaged rigor crossbridges from tomograms of insect flight muscle.
J.Struct.Biol., 138, 2002
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4G6R
 | | Minimal Hairpin Ribozyme in the Transition State with G8I Variation | | Descriptor: | Loop A Ribozyme strand, Loop A Substrate strand, Loop B Ribozyme Strand, ... | | Authors: | Liberman, J.A, Jenkins, J.L, Krucinska, J, Wedekind, J.E. | | Deposit date: | 2012-07-19 | | Release date: | 2012-08-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.832 Å) | | Cite: | A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis.
J.Am.Chem.Soc., 134, 2012
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4G6P
 | | Minimal Hairpin Ribozyme in the Precatalytic State with A38P Variation | | Descriptor: | COBALT HEXAMMINE(III), Loop A Substrate strand, Loop A and Loop B Ribozyme strand, ... | | Authors: | Liberman, J.A, Jenkins, J.L, Krucinska, J, Wedekind, J.E. | | Deposit date: | 2012-07-19 | | Release date: | 2012-08-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.641 Å) | | Cite: | A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis.
J.Am.Chem.Soc., 134, 2012
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4G6S
 | | Minimal Hairpin Ribozyme in the Transition State with A38P Variation | | Descriptor: | COBALT HEXAMMINE(III), Loop A Substrate strand, Loop A and Loop B Ribozyme strand, ... | | Authors: | Liberman, J.A, Jenkins, J.L, Krucinska, J, Wedekind, J.E. | | Deposit date: | 2012-07-19 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | A Transition-State Interaction Shifts Nucleobase Ionization toward Neutrality To Facilitate Small Ribozyme Catalysis.
J.Am.Chem.Soc., 134, 2012
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7C2L
 | | S protein of SARS-CoV-2 in complex bound with 4A8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, R.H, Zhang, Y.Y, Guo, Y.Y, Li, Y.N, Xia, L, Zhou, Q. | | Deposit date: | 2020-05-08 | | Release date: | 2020-07-01 | | Last modified: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | A neutralizing human antibody binds to the N-terminal domain of the Spike protein of SARS-CoV-2.
Science, 369, 2020
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4PY1
 | | Crystal structure of Tyk2 in complex with compound 15, 6-((2,5-dimethoxyphenyl)thio)-3-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine | | Descriptor: | 6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine, Non-receptor tyrosine-protein kinase TYK2 | | Authors: | Han, S, Knafels, J.D. | | Deposit date: | 2014-03-25 | | Release date: | 2014-09-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Kinase domain inhibition of leucine rich repeat kinase 2 (LRRK2) using a [1,2,4]triazolo[4,3-b]pyridazine scaffold.
Bioorg.Med.Chem.Lett., 24, 2014
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3HR5
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7WDW
 | | DsyB in complex with SAH and MTHB | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-methylsulfanyl-2-oxidanyl-butanoic acid, DSYB, ... | | Authors: | Li, C.Y. | | Deposit date: | 2021-12-22 | | Release date: | 2022-06-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Mechanistic insights into the key marine dimethylsulfoniopropionate synthesis enzyme DsyB/DSYB.
Mlife, 2022
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7WDQ
 | | DsyB in complex with SAM | | Descriptor: | S-ADENOSYLMETHIONINE, SAM-dependent MTHB methyltransferase | | Authors: | Li, C.Y. | | Deposit date: | 2021-12-22 | | Release date: | 2022-06-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Mechanistic insights into the key marine dimethylsulfoniopropionate synthesis enzyme DsyB/DSYB.
Mlife, 2022
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