6BZ2
| Crystal structure of wild-type HIV-1 protease with a novel HIV-1 inhibitor GRL-14213A of 6-5-5-ring fused crown-like tetrahydropyranofuran as the P2-ligand, a cyclopropylaminobenzothiazole as the P2'-ligand and 3,5-difluorophenylmethyl as the P1-ligand | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2017-12-22 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Design of Highly Potent, Dual-Acting and Central-Nervous-System-Penetrating HIV-1 Protease Inhibitors with Excellent Potency against Multidrug-Resistant HIV-1 Variants. ChemMedChem, 13, 2018
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4EEV
| Crystal structure of c-Met in complex with LY2801653 | Descriptor: | Hepatocyte growth factor receptor, N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide | Authors: | Wang, Y, Stout, S.L. | Deposit date: | 2012-03-28 | Release date: | 2013-04-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | LY2801653 is an orally bioavailable multi-kinase inhibitor with potent activity against MET, MST1R, and other oncoproteins, and displays anti-tumor activities in mouse xenograft models. Invest New Drugs, 31, 2013
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4JFJ
| Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with compound (1S,6R)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,6R)-10-(1,3-benzothiazol-6-ylsulfonyl)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control. J.Med.Chem., 56, 2013
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4K2C
| HSA Ligand Free | Descriptor: | Serum albumin | Authors: | Wang, Y, Luo, Z, Shi, X, Huang, M. | Deposit date: | 2013-04-08 | Release date: | 2013-05-01 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Structural mechanism of ring-opening reaction of glucose by human serum albumin. J. Biol. Chem., 288, 2013
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1DE2
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2R8I
| Selectivity of Nucleoside Triphosphate Incorporation Opposite 1,N2-Propanodeoxyguanosine (PdG) by the Sulfolobus solfataricus DNA Polymerase Dpo4 Polymerase | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*DGP*DGP*DGP*DGP*DGP*DAP*DAP*DGP*DGP*DAP*DTP*DTP*DC)-3'), ... | Authors: | Wang, Y, Saleh, S, Marnette, L.J, Egli, M, Stone, M.P. | Deposit date: | 2007-09-10 | Release date: | 2008-07-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Insertion of dNTPs opposite the 1,N2-propanodeoxyguanosine adduct by Sulfolobus solfataricus P2 DNA polymerase IV Biochemistry, 47, 2008
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2R8H
| Selectivity of Nucleoside Triphosphate Incorporation Opposite 1,N2-Propanodeoxyguanosine (PdG) by the Sulfolobus solfataricus DNA Polymerase Dpo4 Polymerase | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*DGP*DGP*DGP*DGP*DGP*DAP*DAP*DGP*DGP*DAP*DTP*DTP*DC)-3'), ... | Authors: | Wang, Y, Saleh, S, Marnette, L.J, Egli, M, Stone, M.P. | Deposit date: | 2007-09-10 | Release date: | 2008-07-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Insertion of dNTPs opposite the 1,N2-propanodeoxyguanosine adduct by Sulfolobus solfataricus P2 DNA polymerase IV Biochemistry, 47, 2008
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2HHJ
| Human bisphosphoglycerate mutase complexed with 2,3-bisphosphoglycerate (15 days) | Descriptor: | (2R)-2,3-diphosphoglyceric acid, 3-PHOSPHOGLYCERIC ACID, Bisphosphoglycerate mutase, ... | Authors: | Wang, Y, Gong, W. | Deposit date: | 2006-06-28 | Release date: | 2006-10-24 | Last modified: | 2016-07-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Seeing the process of histidine phosphorylation in human bisphosphoglycerate mutase. J.Biol.Chem., 281, 2006
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4P5M
| Structural Basis of Chronic Beryllium Disease: Bridging the Gap Between Allergic Hypersensitivity and Autoimmunity | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)][2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, Y, Dai, S, Kappler, J. | Deposit date: | 2014-03-18 | Release date: | 2014-08-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity. Cell, 158, 2014
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4DFG
| Crystal Structure of Wild-type HIV-1 Protease with Cyclopentyltetrahydro- furanyl Urethanes as P2-ligand, GRL-0249A | Descriptor: | CHLORIDE ION, Protease, SODIUM ION, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2012-01-23 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Substituent effects on P2-cyclopentyltetrahydrofuranyl urethanes: Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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2OCJ
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2QFL
| Structure of SuhB: Inositol monophosphatase and extragenic suppressor from E. coli | Descriptor: | ACETATE ION, ETHYL ACETATE, Inositol-1-monophosphatase | Authors: | Wang, Y, Stieglitz, K.A, Bubunenko, M, Court, D, Stec, B, Roberts, M.F. | Deposit date: | 2007-06-27 | Release date: | 2007-07-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structure of the R184A mutant of the inositol monophosphatase encoded by suhB and implications for its functional interactions in Escherichia coli. J.Biol.Chem., 282, 2007
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7E4Z
| Crystal structure of tubulin in complex with Maytansinol | Descriptor: | (1R,2S,3S,5S,6S,16E,18E,20R,21S)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Li, W. | Deposit date: | 2021-02-16 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids. Biochem.Biophys.Res.Commun., 566, 2021
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7E4Q
| Crystal structure of tubulin in complex with L-DM1-SMe | Descriptor: | (1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Li, W. | Deposit date: | 2021-02-14 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids. Biochem.Biophys.Res.Commun., 566, 2021
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7E4R
| Crystal structure of tubulin in complex with D-DM1-SMe | Descriptor: | (10E,12E)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(3-(methylsulfinothioyl)propanoyl)-D-alaninate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Li, W. | Deposit date: | 2021-02-15 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.597 Å) | Cite: | C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids. Biochem.Biophys.Res.Commun., 566, 2021
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6LLF
| Biphenyl-2,2',3-triol-soaked resting complex of Oxy and Fd in carbazole 1,9a-dioxygenase | Descriptor: | 1,2-ETHANEDIOL, 3-(2-hydroxyphenyl)benzene-1,2-diol, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | Deposit date: | 2019-12-23 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Biphenyl-2,2',3-triol-soaked resting complex of Oxy and Fd in carbazole 1,9a-dioxygenase To Be Published
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2ROU
| Stereospecific Conformations of N2-dG 1R-trans-anti-Benzo[c]phenanthrene DNA Adducts: 3'-Intercalation of the 1R Adduct and 5'-Minor Groove Orientation of the 1S Adduct in an Iterated (CG)3 Repeat | Descriptor: | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, DNA (5'-D(*DAP*DTP*DCP*DGP*DCP*DGP*DCP*DGP*DGP*DCP*DAP*DTP*DG)-3'), DNA (5'-D(*DCP*DAP*DTP*DGP*DCP*DCP*DGP*DCP*DGP*DCP*DGP*DAP*DT)-3') | Authors: | Wang, Y, Kroth, H, Yagi, H, Sayer, J.M, Kumar, S, Jerina, D.M, Stone, M.P. | Deposit date: | 2008-04-20 | Release date: | 2009-03-03 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | 3'-Intercalation of a N2-dG 1R-trans-anti-benzo[c]phenanthrene DNA adduct in an iterated (CG)3 repeat Chem.Res.Toxicol., 21, 2008
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6LLK
| Biphenyl-2,2',3-triol-soaked terminal oxygenase of carbazole 1,9a-dioxygenase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(2-hydroxyphenyl)benzene-1,2-diol, DIMETHYL SULFOXIDE, ... | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | Deposit date: | 2019-12-23 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Biphenyl-2,2',3-triol-soaked terminal oxygenase of carbazole 1,9a-dioxygenase To Be Published
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6LL0
| Carbazole-soaked reduced oxygenase in carbazole 1,9a-dioxygenase | Descriptor: | 1,2-ETHANEDIOL, 9H-CARBAZOLE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | Deposit date: | 2019-12-21 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Carbazole-soaked reduced oxygenase in carbazole 1,9a-dioxygenase To Be Published
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6LL4
| Oxygen-exposed carbazole-soaked reduced terminal oxygenase of carbazole 1,9a-dioxygenase | Descriptor: | (9aR)-9a-(dioxidanyl)-1,9-dihydrocarbazole, 1,2-ETHANEDIOL, 2'-amino[1,1'-biphenyl]-2,3-diol, ... | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | Deposit date: | 2019-12-21 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Oxygen-exposed carbazole-soaked reduced terminal oxygenase of carbazole 1,9a-dioxygenase with To Be Published
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6LLM
| Biphenyl-2,3-diol-soaked terminal oxygenase of carbazole 1,9a-dioxygenase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BIPHENYL-2,3-DIOL, DIMETHYL SULFOXIDE, ... | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | Deposit date: | 2019-12-23 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Biphenyl-2,3-diol-soaked terminal oxygenase of carbazole 1,9a-dioxygenase To Be Published
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6LL1
| Oxygen-exposed reduced terminal oxygenase in carbazole 1,9a-dioxygenase | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | Deposit date: | 2019-12-21 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Oxygen-exposed reduced terminal oxygenase in carbazole 1,9a-dioxygenase To Be Published
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6LLH
| Biphenyl-2,3-diol-soaked resting complex of Oxy and Fd in carbazole 1,9a-dioxygenase | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, BIPHENYL-2,3-DIOL, ... | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | Deposit date: | 2019-12-23 | Release date: | 2021-01-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Biphenyl-2,2',3-triol-soaked resting complex of Oxy and Fd in carbazole 1,9a-dioxygenase To Be Published
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7K6B
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4MJW
| Crystal Structure of Choline Oxidase in Complex with the Reaction Product Glycine Betaine | Descriptor: | ACETATE ION, Choline oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Wang, Y.-F, Salvi, F, Gadda, G, Weber, I.T. | Deposit date: | 2013-09-04 | Release date: | 2014-02-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of choline oxidase in complex with the reaction product glycine betaine. Acta Crystallogr.,Sect.D, 70, 2014
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