3PJ6
| Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants | Descriptor: | HIV protease | Authors: | Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C. | Deposit date: | 2010-11-08 | Release date: | 2011-04-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants. Acta Crystallogr.,Sect.D, 67, 2011
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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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5ED6
| crystal structure of human Hint1 H114A mutant complexing with ATP | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2015-10-20 | Release date: | 2017-01-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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5ED3
| crystal structure of human Hint1 complexing with AP5A | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | Authors: | Wang, J, Fang, P, Guo, M. | Deposit date: | 2015-10-20 | Release date: | 2017-01-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.309 Å) | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells. Nat Commun, 10, 2019
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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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4RAZ
| Crystal structure of Magnetospirillum gryphiswaldense MSR-1 holo-Fur | Descriptor: | 1,2-ETHANEDIOL, DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION | Authors: | Deng, Z, Wang, Q, Chen, Z. | Deposit date: | 2014-09-12 | Release date: | 2015-07-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator. Nat Commun, 6
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4RB3
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4RB0
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4RB2
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4RB1
| Crystal structure of Magnetospirillum gryphiswaldense MSR-1 Fur-Mn2+-E. coli Fur box | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*AP*TP*GP*AP*TP*AP*AP*TP*CP*AP*TP*TP*AP*TP*CP*CP*GP*C)-3'), DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION | Authors: | Deng, Z, Chen, Z. | Deposit date: | 2014-09-12 | Release date: | 2015-07-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator. Nat Commun, 6
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3OHI
| Structure of Giardia fructose-1,6-biphosphate aldolase in complex with 3-hydroxy-2-pyridone | Descriptor: | ({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid, Putative fructose-1,6-bisphosphate aldolase, ZINC ION | Authors: | Herzberg, O, Galkin, A. | Deposit date: | 2010-08-17 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Rational design, synthesis and evaluation of first generation inhibitors of the Giardia lamblia fructose-1,6-biphosphate aldolase. J.Inorg.Biochem., 105, 2010
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7EO0
| FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY C4 | Descriptor: | Ig heavy chain variable region, Ig lamda chain variable region, O/TIBET/99 VP1, ... | Authors: | He, Y, Li, K. | Deposit date: | 2021-04-21 | Release date: | 2021-08-18 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Two Cross-Protective Antigen Sites on Foot-and-Mouth Disease Virus Serotype O Structurally Revealed by Broadly Neutralizing Antibodies from Cattle. J.Virol., 95, 2021
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5HS2
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6IXM
| Crystal structure of the ketone reductase ChKRED20 from the genome of Chryseobacterium sp. CA49 complexed with NAD | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Short-chain dehydrogenase reductase | Authors: | Zhao, F.J, Jin, Y, Liu, Z.C, Wang, G.G, Wu, Z.L. | Deposit date: | 2018-12-11 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Structure-guided engineering of ChKRED20 from Chryseobacterium sp. CA49 for asymmetric reduction of aryl ketoesters. Enzyme Microb. Technol., 125, 2019
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6JGF
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6JGV
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7C6C
| Crystal structure of native chitosanase from Bacillus subtilis MY002 | Descriptor: | (2S)-2-hydroxybutanedioic acid, Chitosanase | Authors: | Gou, Y, Liu, Z.C, Xie, T, Wang, G.G. | Deposit date: | 2020-05-21 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.258 Å) | Cite: | Structure-based rational design of chitosanase CsnMY002 for high yields of chitobiose. Colloids Surf B Biointerfaces, 202, 2021
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7C6D
| Crystal structure of E19A mutant chitosanase from Bacillus subtilis MY002 complexed with 6 GlcN. | Descriptor: | 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, Chitosanase | Authors: | Gou, Y, Liu, Z.C, Xie, T, Wang, G.G. | Deposit date: | 2020-05-21 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | Structure-based rational design of chitosanase CsnMY002 for high yields of chitobiose. Colloids Surf B Biointerfaces, 202, 2021
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6JGX
| Crystal structure of the transcriptional regulator CadR from P. putida in complex with Cadmium(II) and DNA | Descriptor: | CADMIUM ION, CadR, DNA (5'-D(*CP*AP*CP*CP*CP*TP*AP*TP*AP*GP*TP*GP*GP*CP*TP*AP*CP*AP*GP*GP*GP*T)-3'), ... | Authors: | Liu, X.C, Gan, J.H, Chen, H. | Deposit date: | 2019-02-15 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Selective cadmium regulation mediated by a cooperative binding mechanism in CadR. Proc.Natl.Acad.Sci.USA, 116, 2019
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6JGW
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6JNI
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3S5J
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4YZG
| Structure of the Arabidopsis TAP38/PPH1, a state-transition phosphatase responsible for dephosphorylation of LHCII | Descriptor: | MANGANESE (II) ION, Protein phosphatase 2C 57, SULFATE ION | Authors: | Wei, X.P, Guo, J.T, Li, M, Liu, Z.F. | Deposit date: | 2015-03-25 | Release date: | 2015-04-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Mechanism Underlying the Specific Recognition between the Arabidopsis State-Transition Phosphatase TAP38/PPH1 and Phosphorylated Light-Harvesting Complex Protein Lhcb1 Plant Cell, 27, 2015
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4YZH
| Structure of the Arabidopsis TAP38/PPH1 in complex with pLhcb1 phosphopeptide substrate | Descriptor: | Chlorophyll a-b binding protein 2, chloroplastic, MANGANESE (II) ION, ... | Authors: | Wei, X.P, Guo, J.T, Li, M, Liu, Z.F. | Deposit date: | 2015-03-25 | Release date: | 2015-04-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Mechanism Underlying the Specific Recognition between the Arabidopsis State-Transition Phosphatase TAP38/PPH1 and Phosphorylated Light-Harvesting Complex Protein Lhcb1 Plant Cell, 27, 2015
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6DFX
| human diabetogenic TCR T1D3 in complex with DQ8-p8E9E peptide | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, Y, Dai, S. | Deposit date: | 2018-05-15 | Release date: | 2019-04-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | How C-terminal additions to insulin B-chain fragments create superagonists for T cells in mouse and human type 1 diabetes. Sci Immunol, 4, 2019
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