4GHU
 
 | | Crystal structure of TRAF3/Cardif | | Descriptor: | Mitochondrial antiviral-signaling protein, TNF receptor-associated factor 3 | | Authors: | Zhang, P. | | Deposit date: | 2012-08-08 | | Release date: | 2012-11-28 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Single Amino Acid Substitutions Confer the Antiviral Activity of the TRAF3 Adaptor Protein onto TRAF5
Sci.Signal., 5, 2012
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4I9H
 | | Crystal structure of rabbit LDHA in complex with AP28669 | | Descriptor: | 1-O-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-O-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-D-mannitol, L-lactate dehydrogenase A chain | | Authors: | Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. | | Deposit date: | 2012-12-05 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
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4I8X
 | | Crystal structure of rabbit LDHA in complex with AP27460 | | Descriptor: | 6-phenylpyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | | Authors: | Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C. | | Deposit date: | 2012-12-04 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
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4I9N
 | | Crystal structure of rabbit LDHA in complex with AP28161 and AP28122 | | Descriptor: | 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain | | Authors: | Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C. | | Deposit date: | 2012-12-05 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
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2MP0
 | | Protein Phosphorylation upon a Fleeting Encounter | | Descriptor: | Glucose-specific phosphotransferase enzyme IIA component, PHOSPHITE ION, Phosphoenolpyruvate-protein phosphotransferase | | Authors: | Xing, Q, Yang, J, Huang, P, Zhang, W, Tang, C. | | Deposit date: | 2014-05-08 | | Release date: | 2014-08-20 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Visualizing an ultra-weak protein-protein interaction in phosphorylation signaling.
Angew.Chem.Int.Ed.Engl., 53, 2014
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5EQE
 | | Crystal structure of choline kinase alpha-1 bound by [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine (compound 11) | | Descriptor: | Choline kinase alpha, [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine | | Authors: | Zhou, T, Zhu, X, Dalgarno, D.C. | | Deposit date: | 2015-11-12 | | Release date: | 2016-01-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016
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5EQP
 | | Crystal structure of choline kinase alpha-1 bound by 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline (compound 37) | | Descriptor: | 6-[(4-methyl-1,4-diazepan-1-yl)methyl]quinoline, Choline kinase alpha | | Authors: | Zhou, T, Zhu, X, Dalgarno, D.C. | | Deposit date: | 2015-11-13 | | Release date: | 2016-01-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Novel Small Molecule Inhibitors of Choline Kinase Identified by Fragment-Based Drug Discovery.
J.Med.Chem., 59, 2016
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6ITM
 | | Crystal structure of FXR in complex with agonist XJ034 | | Descriptor: | 1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone, Bile acid receptor, HD3 Peptide from Nuclear receptor coactivator 1 | | Authors: | Zhang, H, Wang, Z. | | Deposit date: | 2018-11-23 | | Release date: | 2019-11-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists.
J.Chem.Inf.Model., 60, 2020
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8IKX
 | | An Arabidopsis polygalacturonase PGLR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Pectin lyase-like superfamily protein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-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: | Xiao, Y, Chai, J. | | Deposit date: | 2023-03-01 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A plant mechanism of hijacking pathogen virulence factors to trigger innate immunity.
Science, 383, 2024
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6IWI
 | | Crystal structure of PDE5A in complex with a novel inhibitor | | Descriptor: | MAGNESIUM ION, N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide, ZINC ION, ... | | Authors: | Zhang, X.L, Xu, Y.C. | | Deposit date: | 2018-12-05 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.155 Å) | | Cite: | Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension.
J.Med.Chem., 62, 2019
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6J56
 | | Crystal structure of Myosin VI CBD in complex with Tom1 MBM | | Descriptor: | Peptide from Target of Myb protein 1, Unconventional myosin-VI | | Authors: | Hu, S, Pan, L. | | Deposit date: | 2019-01-10 | | Release date: | 2019-08-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Structure of Myosin VI/Tom1 complex reveals a cargo recognition mode of Myosin VI for tethering.
Nat Commun, 10, 2019
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8W22
 | | Umb1 umbrella toxin particle (local refinement of UmbB1 bound ALF of UmbC1 and UmbA1) | | Descriptor: | Intein C-terminal splicing domain-containing protein, Secreted esterase, Secreted protein | | Authors: | Park, Y.J, Zhao, Q, Seattle Structural Genomics Center for Infectious Disease (SSGCID), DiMaio, F, Mougous, J.D, Veesler, D. | | Deposit date: | 2024-02-19 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Streptomyces umbrella toxin particles block hyphal growth of competing species.
Nature, 629, 2024
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5KKF
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8JC5
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4DS8
 | | Complex structure of abscisic acid receptor PYL3-(+)-ABA-HAB1 in the presence of Mn2+ | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3, GLYCEROL, ... | | Authors: | Zhang, X, Zhang, Q, Wang, G, Chen, Z. | | Deposit date: | 2012-02-18 | | Release date: | 2012-06-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Complex Structures of the Abscisic Acid Receptor PYL3/RCAR13 Reveal a Unique Regulatory Mechanism
Structure, 20, 2012
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8W20
 | | Umb1 umbrella toxin particle | | Descriptor: | Intein C-terminal splicing domain-containing protein, Secreted esterase, Secreted protein | | Authors: | Park, Y.J, Zhao, Q, Seattle Structural Genomics Center for Infectious Disease (SSGCID), DiMaio, F, Mougous, J.D, Veesler, D. | | Deposit date: | 2024-02-19 | | Release date: | 2024-04-17 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Streptomyces umbrella toxin particles block hyphal growth of competing species.
Nature, 629, 2024
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8JCA
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7BQA
 | | Crystal structure of ASFV p35 | | Descriptor: | 60 kDa polyprotein | | Authors: | Li, G.B, Fu, D, Chen, C, Guo, Y. | | Deposit date: | 2020-03-24 | | Release date: | 2020-06-24 | | Last modified: | 2021-05-05 | | Method: | X-RAY DIFFRACTION (2.102 Å) | | Cite: | Crystal structure of the African swine fever virus structural protein p35 reveals its role for core shell assembly.
Protein Cell, 11, 2020
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8WI2
 | | RD-hMRP5-inward open | | Descriptor: | ATP-binding cassette sub-family C member 5, CYS-GLN-ASP-ALA-LEU-GLU-THR-ALA-ALA-ARG-ALA-GLU-GLY-LEU-SER-LEU-ASP-ALA-SER | | Authors: | Liu, Z.M, Huang, Y. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.06 Å) | | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5.
Nat Commun, 15, 2024
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5YQN
 | | Crystal structure of Sirt2 in complex with selective inhibitor L55 | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Wang, H, Yu, Y, Li, G, Chen, Q. | | Deposit date: | 2017-11-07 | | Release date: | 2018-10-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray crystal structure guided discovery of new selective, substrate-mimicking sirtuin 2 inhibitors that exhibit activities against non-small cell lung cancer cells.
Eur J Med Chem, 155, 2018
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8WI3
 | | ND-hMRP5-inward open | | Descriptor: | ATP-binding cassette sub-family C member 5 | | Authors: | Liu, Z.M, Huang, Y. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5.
Nat Commun, 15, 2024
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8WI0
 | | wt-hMRP5 inward-open | | Descriptor: | ATP-binding cassette sub-family C member 5 | | Authors: | Liu, Z.M, Huang, Y. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5.
Nat Commun, 15, 2024
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8WI5
 | | M5PI-bound hMRP5 | | Descriptor: | ATP-binding cassette sub-family C member 5 | | Authors: | Liu, Z.M, Huang, Y. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5.
Nat Commun, 15, 2024
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8WI4
 | | m6-hMRP5 inward open | | Descriptor: | ATP-binding cassette sub-family C member 5 | | Authors: | Liu, Z.M, Huang, Y. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5.
Nat Commun, 15, 2024
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6CDH
 | | Crystal structure of ferrous form of the Cl-Tyr157 human cysteine dioxygenase with both uncrosslinked and crosslinked cofactor | | Descriptor: | Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ... | | Authors: | Liu, A, Li, J, Shin, I. | | Deposit date: | 2018-02-08 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.821 Å) | | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
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