7BPV
| r(GUGGGCCGAC)/d(GTCGGCCCAC) hybrid duplex structure | Descriptor: | DNA (5'-D(P*GP*TP*CP*GP*GP*CP*CP*CP*AP*C)-3'), RNA (5'-R(P*GP*UP*GP*GP*GP*CP*CP*GP*AP*C)-3'), SULFATE ION | Authors: | Wang, S.C, Satange, R.B, Hou, M.H. | Deposit date: | 2020-03-23 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.781 Å) | Cite: | Targeting the ALS/FTD-associated A-DNA kink with anthracene-based metal complex causes DNA backbone straightening and groove contraction. Nucleic Acids Res., 49, 2021
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1D2A
| CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LTP1) COMPLEXED WITH THE ACTIVATOR ADENINE | Descriptor: | ADENINE, CHLORIDE ION, PHOSPHATE ION, ... | Authors: | Wang, S, Stauffacher, C.V, Van Etten, R.L. | Deposit date: | 1999-09-22 | Release date: | 2000-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and mechanistic basis for the activation of a low-molecular weight protein tyrosine phosphatase by adenine. Biochemistry, 39, 2000
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8TOX
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5U1A
| Ferritin with Gc MtrE loop 1 inserted at His34 | Descriptor: | CHLORIDE ION, FE (III) ION, Ferritin,MtrE protein chimera, ... | Authors: | Wang, S. | Deposit date: | 2016-11-28 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based design of ferritin nanoparticle immunogens displaying antigenic loops of Neisseria gonorrhoeae. FEBS Open Bio, 7, 2017
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3LC5
| Selective Benzothiophine Inhibitors of Factor IXa | Descriptor: | 1-{4-[(R)-phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine, CALCIUM ION, Coagulation factor IX | Authors: | Wang, S, Beck, R. | Deposit date: | 2010-01-09 | Release date: | 2010-02-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structure Based Drug Design: Development of Potent and Selective Factor IXa (FIXa) Inhibitors. J.Med.Chem., 53, 2010
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6N7Q
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2XNB
| Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents | Descriptor: | 3,4-DIMETHYL-5-(2-{[(1Z)-4-PIPERAZIN-1-YLCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}PYRIMIDIN-4-YL)-1,3-THIAZOL-2(3H)-ONE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M. | Deposit date: | 2010-08-01 | Release date: | 2010-11-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents Chem.Biol., 17, 2010
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2XMY
| Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents | Descriptor: | 4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-N-(2-METHOXY-ETHYL)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M. | Deposit date: | 2010-07-29 | Release date: | 2010-11-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents Chem.Biol., 17, 2010
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1D1Q
| CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LTP1) COMPLEXED WITH THE SUBSTRATE PNPP | Descriptor: | 4-NITROPHENYL PHOSPHATE, GLYCEROL, PHOSPHATE ION, ... | Authors: | Wang, S, Tabernero, L, Zhang, M, Harms, E, Van Etten, R.L, Staufacher, C.V. | Deposit date: | 1999-09-20 | Release date: | 2000-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of a low-molecular weight protein tyrosine phosphatase from Saccharomyces cerevisiae and its complex with the substrate p-nitrophenyl phosphate. Biochemistry, 39, 2000
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6N87
| Plasmodium falciparum FVO apical membrane antigen 1 (AMA1) bound to MTSL spin-labelled cyclised RON2 peptide | Descriptor: | Apical membrane antigen-1, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate, backbone-cyclised peptide bcRON2hp | Authors: | McGowan, S, Drinkwater, N. | Deposit date: | 2018-11-28 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.588 Å) | Cite: | Identification of the Binding Site of Apical Membrane Antigen 1 (AMA1) Inhibitors Using a Paramagnetic Probe. ChemMedChem, 14, 2019
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1D1P
| CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LTP1) | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, TYROSINE PHOSPHATASE | Authors: | Wang, S, Tabernero, L, Zhang, M, Harms, E, Van Etten, R.L, Stauffacher, C.V. | Deposit date: | 1999-09-20 | Release date: | 2000-03-08 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of a low-molecular weight protein tyrosine phosphatase from Saccharomyces cerevisiae and its complex with the substrate p-nitrophenyl phosphate. Biochemistry, 39, 2000
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1N2G
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7O1G
| Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme alpha-E141A-H462A, beta-C92A mutant | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, Putative acyltransferase Rv0859, SULFATE ION | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2021-03-29 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme. J.Struct.Biol., 213, 2021
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7O1M
| Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme alpha-H462A, beta-C92A mutant | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ... | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | Deposit date: | 2021-03-29 | Release date: | 2021-08-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme. J.Struct.Biol., 213, 2021
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2A86
| Crystal structure of A Pantothenate synthetase complexed with AMP and beta-alanine | Descriptor: | ADENOSINE MONOPHOSPHATE, BETA-ALANINE, ETHANOL, ... | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-07-07 | Release date: | 2006-02-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action. Biochemistry, 45, 2006
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6CM4
| Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone | Descriptor: | 3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, D(2) dopamine receptor, endolysin chimera, ... | Authors: | Wang, S, Che, T, Levit, A, Shoichet, B.K, Wacker, D, Roth, B.L. | Deposit date: | 2018-03-02 | Release date: | 2018-03-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.867 Å) | Cite: | Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone. Nature, 555, 2018
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1K26
| Structure of a Nudix Protein from Pyrobaculum aerophilum Solved by the Single Wavelength Anomolous Scattering Method | Descriptor: | ACETIC ACID, GLYCEROL, IRIDIUM (III) ION, ... | Authors: | Wang, S, Mura, C, Sawaya, M.R, Cascio, D, Eisenberg, D. | Deposit date: | 2001-09-26 | Release date: | 2002-04-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of a Nudix protein from Pyrobaculum aerophilum reveals a dimer with two intersubunit beta-sheets. Acta Crystallogr.,Sect.D, 58, 2002
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1YVB
| the Plasmodium falciparum Cysteine Protease Falcipain-2 | Descriptor: | Cystatin, GLYCEROL, falcipain 2 | Authors: | Wang, S.X. | Deposit date: | 2005-02-15 | Release date: | 2006-03-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for unique mechanisms of folding and hemoglobin binding by a malarial protease. Proc.Natl.Acad.Sci.Usa, 103, 2006
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4Y64
| AAGlyB in complex with amino-acid analogues | Descriptor: | 5'-(D-alanylamino)-5'-deoxyuridine, Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside | Authors: | Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S. | Deposit date: | 2015-02-12 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates? Chempluschem, 80, 2015
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4Y63
| AAGlyB in complex with amino-acid analogues | Descriptor: | 5'-deoxy-5'-{[(2S)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | Authors: | Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S. | Deposit date: | 2015-02-12 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates? Chempluschem, 80, 2015
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4Y62
| AAGlyB in complex with amino-acid analogues | Descriptor: | 5'-deoxy-5'-{[(2R)-3-hydroxy-2-(4-phenyl-1H-1,2,3-triazol-1-yl)propanoyl]amino}uridine, Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside | Authors: | Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S. | Deposit date: | 2015-02-12 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates? Chempluschem, 80, 2015
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1N2J
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1JRK
| Crystal Structure of a Nudix Protein from Pyrobaculum aerophilum Reveals a Dimer with Intertwined Beta Sheets | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Nudix homolog | Authors: | Wang, S, Mura, C, Sawaya, M.R, Cascio, D, Eisenberg, D. | Deposit date: | 2001-08-13 | Release date: | 2002-04-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of a Nudix protein from Pyrobaculum aerophilum reveals a dimer with two intersubunit beta-sheets. Acta Crystallogr.,Sect.D, 58, 2002
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6JBR
| Tps1/UDP/T6P complex | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, Trehalose-6-phosphate synthase, URIDINE-5'-DIPHOSPHATE | Authors: | Wang, S, Zhao, Y, Wang, D, Liu, J. | Deposit date: | 2019-01-26 | Release date: | 2019-12-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1. Biochem.J., 476, 2019
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7O4U
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