7GZE
| Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000601-001 | Descriptor: | (3R)-3-(4-bromophenyl)-3-{[5-(dimethylamino)pyridine-2-carbonyl]amino}propanoic acid, Non-structural protein 3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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7GZM
| Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008324-001 | Descriptor: | N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-valine, Non-structural protein 3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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8EQZ
| Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog T0-C6 | Descriptor: | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-hexylbenzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Huber, A.D, Poudel, S, Seetharaman, J, Miller, D.J, Lin, W, Li, Y, Chen, T. | Deposit date: | 2022-10-11 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-guided approach to modulate small molecule binding to a promiscuous ligand-activated protein. Proc.Natl.Acad.Sci.USA, 120, 2023
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1NP2
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8SW1
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7GZC
| Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000588-001 | Descriptor: | (3R)-3-(4-fluorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid, Non-structural protein 3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.185 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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6UD7
| Crystal structure of full-length human DCAF15-DDB1(deltaBPB)-DDA1-RBM39 in complex with indisulam | Descriptor: | DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1,DNA damage-binding protein 1, ... | Authors: | Bussiere, D.E, Shu, W, Xie, L, Knapp, M. | Deposit date: | 2019-09-18 | Release date: | 2019-12-18 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex. Nat.Chem.Biol., 16, 2020
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7GZO
| Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0008338-001 | Descriptor: | 3-cyclopropyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-L-alanine, Non-structural protein 3 | Authors: | Aschenbrenner, J.C, Fearon, D, Tomlinson, C.W.E, Marples, P.G, Fairhead, M, Balcomb, B.H, Chandran, A.V, Godoy, A.S, Koekemoer, L, Lithgo, R.M, Ni, X, Thompson, W, Wang, S, Wild, C, Williams, E.P, Winokan, M, Walsh, M.A, von Delft, F. | Deposit date: | 2024-01-23 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the ASAP AViDD centre To Be Published
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4ZQH
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6INB
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8SW0
| Puromycin sensitive aminopeptidase | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Puromycin-sensitive aminopeptidase, ... | Authors: | Rodgers, D.W, Sampath, S. | Deposit date: | 2023-05-17 | Release date: | 2023-07-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structure of puromycin-sensitive aminopeptidase and polyglutamine binding. Plos One, 18, 2023
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1IKI
| COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH THE PRODUCTS OF A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT | Descriptor: | D-ALANINE, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANINE | Authors: | Mcdonough, M.A, Anderson, J.W, Silvaggi, N.R, Pratt, R.F, Knox, J.R, Kelly, J.A. | Deposit date: | 2001-05-03 | Release date: | 2002-09-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structures of two kinetic intermediates reveal species specificity of penicillin-binding proteins. J.Mol.Biol., 322, 2002
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1EN6
| CRYSTAL STRUCTURE ANALYSIS OF THE E. COLI MANGANESE SUPEROXIDE DISMUTASE Q146L MUTANT | Descriptor: | MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE | Authors: | Edwards, R.A, Whittaker, M.M, Baker, E.N, Whittaker, J.W, Jameson, G.B. | Deposit date: | 2000-03-20 | Release date: | 2001-06-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Outer sphere mutations perturb metal reactivity in manganese superoxide dismutase. Biochemistry, 40, 2001
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2YYK
| Crystal structure of the mutant of HpaB (T198I, A276G, and R466H) | Descriptor: | 4-hydroxyphenylacetate-3-hydroxylase, ACETIC ACID, GLYCEROL, ... | Authors: | Kim, S.-H, Hisano, T, Takeda, K, Iwasaki, W, Ebihara, A, Miki, K. | Deposit date: | 2007-04-30 | Release date: | 2007-09-04 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of the Oxygenase Component (HpaB) of the 4-Hydroxyphenylacetate 3-Monooxygenase from Thermus thermophilus HB8 J.Biol.Chem., 282, 2007
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8ET5
| Crystal structure of arabidopsis thaliana acetohydroxyacid synthase S653T mutant in complex with amidosulfuron | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ... | Authors: | Guddat, L.W, Cheng, Y. | Deposit date: | 2022-10-16 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Crystal Structure of the Commercial Herbicide, Amidosulfuron, in Complex with Arabidopsis thaliana Acetohydroxyacid Synthase. J.Agric.Food Chem., 71, 2023
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1EUD
| CRYSTAL STRUCTURE OF PHOSPHORYLATED PIG HEART, GTP-SPECIFIC SUCCINYL-COA SYNTHETASE | Descriptor: | SUCCINYL-COA SYNTHETASE, ALPHA CHAIN, BETA CHAIN, ... | Authors: | Fraser, M.E, James, M.N.G, Bridger, W.A, Wolodko, W.T. | Deposit date: | 2000-04-14 | Release date: | 2000-07-27 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phosphorylated and dephosphorylated structures of pig heart, GTP-specific succinyl-CoA synthetase. J.Mol.Biol., 299, 2000
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4ZND
| 2.55 Angstrom resolution structure of 3-phosphoshikimate 1-carboxyvinyltransferase (AroA) from Coxiella burnetii in complex with shikimate-3-phosphate, phosphate, and potassium | Descriptor: | 3-phosphoshikimate 1-carboxyvinyltransferase, BETA-MERCAPTOETHANOL, PHOSPHATE ION, ... | Authors: | Light, S.H, Minasov, G, Krishna, S.N, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-05-04 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | 2.55 Angstrom resolution structure of 3-phosphoshikimate 1-carboxyvinyltransferase (AroA) from Coxiella burnetii in complex with shikimate-3-phosphate, phosphate, and potassium To Be Published
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8ET4
| Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with amidosulfuron | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ... | Authors: | Guddat, L.W, Cheng, Y. | Deposit date: | 2022-10-16 | Release date: | 2023-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal Structure of the Commercial Herbicide, Amidosulfuron, in Complex with Arabidopsis thaliana Acetohydroxyacid Synthase. J.Agric.Food Chem., 71, 2023
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1ECZ
| PROTEASE INHIBITOR ECOTIN | Descriptor: | ECOTIN, octyl beta-D-glucopyranoside | Authors: | Shin, D.H, Suh, S.W. | Deposit date: | 1996-08-06 | Release date: | 1997-02-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Crystal structure analyses of uncomplexed ecotin in two crystal forms: implications for its function and stability. Protein Sci., 5, 1996
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6ITO
| Crystal structure of pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, AMP and inhibitor Ribose 5-Phosphate | Descriptor: | ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, OXALATE ION, ... | Authors: | Zhong, W, Cai, Q, El Sahili, A, Mu, Y, Lescar, J, Dedon, P.C. | Deposit date: | 2018-11-24 | Release date: | 2019-08-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Pyruvate Kinase Regulates the Pentose-Phosphate Pathway in Response to Hypoxia in Mycobacterium tuberculosis. J.Mol.Biol., 431, 2019
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8F36
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4DU6
| Crystal structure of GTP cyclohydrolase I from Yersinia pestis complexed with GTP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Maltseva, N, Kim, Y, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-02-21 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.106 Å) | Cite: | Crystal structure of GTP cyclohydrolase I from Yersinia pestis complexed with GTP To be Published
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4DPW
| Crystal structure of Staphylococcus epidermidis D283A mevalonate diphosphate decarboxylase complexed with mevalonate diphosphate and ATPgS | Descriptor: | (3R)-3-HYDROXY-5-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}-3-METHYLPENTANOIC ACID, FORMIC ACID, GLYCEROL, ... | Authors: | Barta, M.L, McWhorter, W.J, Geisbrecht, B.V. | Deposit date: | 2012-02-14 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.605 Å) | Cite: | Structural basis for nucleotide binding and reaction catalysis in mevalonate diphosphate decarboxylase. Biochemistry, 51, 2012
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3LYQ
| Crystal structure of IpgB2 from Shigella flexneri | Descriptor: | CITRATE ANION, IpgB2, MU-OXO-DIIRON | Authors: | Klink, B.U, Barden, S, Heidler, T.V, Borchers, C, Ladwein, M, Stradal, T.E.B, Rottner, K, Heinz, D.W. | Deposit date: | 2010-02-28 | Release date: | 2010-03-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of Shigella IPGB2 in complex with human RhoA: Implications for the mechanism of bacterial GEF-mimicry J.Biol.Chem., 285, 2010
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4ZLK
| Crystal structure of mouse myosin-5a in complex with calcium-bound calmodulin | Descriptor: | CALCIUM ION, Calmodulin, Unconventional myosin-Va | Authors: | Shen, M, Zhang, N, Zheng, S, Zhang, W.-B, Zhang, H.-M, Lu, Z, Su, Q.P, Sun, Y, Ye, K, Li, X.-D. | Deposit date: | 2015-05-01 | Release date: | 2016-05-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | Structural basis for calcium regulation of myosin 5 motor function To Be Published
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