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3PJ6
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BU of 3pj6 by Molmil
Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants
分子名称: HIV protease
著者Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C.
登録日2010-11-08
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献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
6ITM
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BU of 6itm by Molmil
Crystal structure of FXR in complex with agonist XJ034
分子名称: 1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone, Bile acid receptor, HD3 Peptide from Nuclear receptor coactivator 1
著者Zhang, H, Wang, Z.
登録日2018-11-23
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Pose Filter-Based Ensemble Learning Enables Discovery of Orally Active, Nonsteroidal Farnesoid X Receptor Agonists.
J.Chem.Inf.Model., 60, 2020
5ED6
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BU of 5ed6 by Molmil
crystal structure of human Hint1 H114A mutant complexing with ATP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
著者Wang, J, Fang, P, Guo, M.
登録日2015-10-20
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
5ED3
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BU of 5ed3 by Molmil
crystal structure of human Hint1 complexing with AP5A
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
著者Wang, J, Fang, P, Guo, M.
登録日2015-10-20
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.309 Å)
主引用文献Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
6IWI
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BU of 6iwi by Molmil
Crystal structure of PDE5A in complex with a novel inhibitor
分子名称: MAGNESIUM ION, N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide, ZINC ION, ...
著者Zhang, X.L, Xu, Y.C.
登録日2018-12-05
公開日2019-12-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.155 Å)
主引用文献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
4RAZ
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BU of 4raz by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 holo-Fur
分子名称: 1,2-ETHANEDIOL, DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION
著者Deng, Z, Wang, Q, Chen, Z.
登録日2014-09-12
公開日2015-07-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
4RB3
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BU of 4rb3 by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 Fur-Mn2+-feoAB1 operator
分子名称: DNA (25-MER), DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION, ...
著者Deng, Z, Chen, Z.
登録日2014-09-12
公開日2015-07-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
4RB0
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BU of 4rb0 by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 SeMet-Apo-Fur
分子名称: CITRATE ANION, DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), SULFATE ION
著者Deng, Z, Chen, Z.
登録日2014-09-12
公開日2015-07-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
4RB2
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BU of 4rb2 by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 SeMet-Fur-Mn2+-feoAB1 operator
分子名称: DNA (25-MER), DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION
著者Deng, Z, Chen, Z.
登録日2014-09-12
公開日2015-07-15
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
4RB1
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BU of 4rb1 by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 Fur-Mn2+-E. coli Fur box
分子名称: 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
著者Deng, Z, Chen, Z.
登録日2014-09-12
公開日2015-07-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
3OHI
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BU of 3ohi by Molmil
Structure of Giardia fructose-1,6-biphosphate aldolase in complex with 3-hydroxy-2-pyridone
分子名称: ({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid, Putative fructose-1,6-bisphosphate aldolase, ZINC ION
著者Herzberg, O, Galkin, A.
登録日2010-08-17
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rational design, synthesis and evaluation of first generation inhibitors of the Giardia lamblia fructose-1,6-biphosphate aldolase.
J.Inorg.Biochem., 105, 2010
7EO0
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BU of 7eo0 by Molmil
FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY C4
分子名称: Ig heavy chain variable region, Ig lamda chain variable region, O/TIBET/99 VP1, ...
著者He, Y, Li, K.
登録日2021-04-21
公開日2021-08-18
最終更新日2022-02-23
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献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
5HS2
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BU of 5hs2 by Molmil
Crystal structure of IspD complexed with CTP and Mg2+ from Bacillus subtilis at 1.90 Angstroms resolution
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Jin, Y, Liu, Z.C, Wang, G.G.
登録日2016-01-24
公開日2016-11-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A structural and functional study on the 2-C-methyl-d-erythritol-4-phosphate cytidyltransferase (IspD) from Bacillus subtilis.
Sci Rep, 6, 2016
6IXM
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BU of 6ixm by Molmil
Crystal structure of the ketone reductase ChKRED20 from the genome of Chryseobacterium sp. CA49 complexed with NAD
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Short-chain dehydrogenase reductase
著者Zhao, F.J, Jin, Y, Liu, Z.C, Wang, G.G, Wu, Z.L.
登録日2018-12-11
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Structure-guided engineering of ChKRED20 from Chryseobacterium sp. CA49 for asymmetric reduction of aryl ketoesters.
Enzyme Microb. Technol., 125, 2019
6JGF
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BU of 6jgf by Molmil
Crystal structure of Se-Met CadR from P. putida with a 21 residue C-terminal truncation
分子名称: CadR, PHOSPHATE ION
著者Liu, X.C, Gan, J.H, Chen, H.
登録日2019-02-13
公開日2019-09-25
最終更新日2019-10-23
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Selective cadmium regulation mediated by a cooperative binding mechanism in CadR.
Proc.Natl.Acad.Sci.USA, 116, 2019
6JGV
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BU of 6jgv by Molmil
Crystal structure of the transcriptional regulator CadR from P. putida
分子名称: CadR
著者Liu, X.C, Gan, J.H, Chen, H.
登録日2019-02-15
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selective cadmium regulation mediated by a cooperative binding mechanism in CadR.
Proc.Natl.Acad.Sci.USA, 116, 2019
7C6C
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BU of 7c6c by Molmil
Crystal structure of native chitosanase from Bacillus subtilis MY002
分子名称: (2S)-2-hydroxybutanedioic acid, Chitosanase
著者Gou, Y, Liu, Z.C, Xie, T, Wang, G.G.
登録日2020-05-21
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.258 Å)
主引用文献Structure-based rational design of chitosanase CsnMY002 for high yields of chitobiose.
Colloids Surf B Biointerfaces, 202, 2021
7C6D
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BU of 7c6d by Molmil
Crystal structure of E19A mutant chitosanase from Bacillus subtilis MY002 complexed with 6 GlcN.
分子名称: 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
著者Gou, Y, Liu, Z.C, Xie, T, Wang, G.G.
登録日2020-05-21
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structure-based rational design of chitosanase CsnMY002 for high yields of chitobiose.
Colloids Surf B Biointerfaces, 202, 2021
6JGX
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BU of 6jgx by Molmil
Crystal structure of the transcriptional regulator CadR from P. putida in complex with Cadmium(II) and DNA
分子名称: 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'), ...
著者Liu, X.C, Gan, J.H, Chen, H.
登録日2019-02-15
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Selective cadmium regulation mediated by a cooperative binding mechanism in CadR.
Proc.Natl.Acad.Sci.USA, 116, 2019
6JGW
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BU of 6jgw by Molmil
Crystal structure of the transcriptional regulator CadR from P. putida in complex with DNA
分子名称: CadR, DNA (27-MER)
著者Liu, X.C, Gan, J.H, Chen, H.
登録日2019-02-15
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Selective cadmium regulation mediated by a cooperative binding mechanism in CadR.
Proc.Natl.Acad.Sci.USA, 116, 2019
6JNI
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BU of 6jni by Molmil
Crystal structure of the transcriptional regulator CadR from P. putida in complex with Zinc(II) and DNA
分子名称: CadR, DNA (25-MER), ZINC ION
著者Liu, X.C, Gan, J.H, Chen, H.
登録日2019-03-16
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Selective cadmium regulation mediated by a cooperative binding mechanism in CadR.
Proc.Natl.Acad.Sci.USA, 116, 2019
3S5J
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BU of 3s5j by Molmil
2.0A Crystal structure of human phosphoribosyl pyrophosphate synthetase 1
分子名称: Ribose-phosphate pyrophosphokinase 1, SULFATE ION
著者Chen, P, Teng, M, Li, X.
登録日2011-05-23
公開日2012-05-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
4YZG
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BU of 4yzg by Molmil
Structure of the Arabidopsis TAP38/PPH1, a state-transition phosphatase responsible for dephosphorylation of LHCII
分子名称: MANGANESE (II) ION, Protein phosphatase 2C 57, SULFATE ION
著者Wei, X.P, Guo, J.T, Li, M, Liu, Z.F.
登録日2015-03-25
公開日2015-04-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
4YZH
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BU of 4yzh by Molmil
Structure of the Arabidopsis TAP38/PPH1 in complex with pLhcb1 phosphopeptide substrate
分子名称: Chlorophyll a-b binding protein 2, chloroplastic, MANGANESE (II) ION, ...
著者Wei, X.P, Guo, J.T, Li, M, Liu, Z.F.
登録日2015-03-25
公開日2015-04-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
6DFX
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BU of 6dfx by Molmil
human diabetogenic TCR T1D3 in complex with DQ8-p8E9E peptide
分子名称: 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, ...
著者Wang, Y, Dai, S.
登録日2018-05-15
公開日2019-04-17
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献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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