3T7R
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4PVF
| Crystal structure of Homo sapiens holo serine hydroxymethyltransferase 2 (mitochondrial) (SHMT2), isoform 3, transcript variant 5, 483 aa, at 2.6 ang. resolution | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Serine hydroxymethyltransferase, ... | Authors: | Giardina, G, Brunotti, P, Fiascarelli, A, Contestabile, R, Cutruzzola, F. | Deposit date: | 2014-03-17 | Release date: | 2015-01-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | How pyridoxal 5'-phosphate differentially regulates human cytosolic and mitochondrial serine hydroxymethyltransferase oligomeric state. Febs J., 282, 2015
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4ADW
| CRYSTAL STRUCTURE OF LEISHMANIA INFANTUM TRYPANOTHIONE REDUCTASE IN COMPLEX WITH NADPH AND TRYPANOTHIONE | Descriptor: | BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Baiocco, P, Ilari, A, Colotti, G, Malatesta, F, Fiorillo, A. | Deposit date: | 2012-01-04 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.61 Å) | Cite: | Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography. Chemmedchem, 8, 2013
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5HCV
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4LNJ
| Structure of Escherichia coli Threonine Aldolase in Unliganded Form | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Low-specificity L-threonine aldolase, ... | Authors: | Safo, M.K, Contestabile, R, Remesh, S.G. | Deposit date: | 2013-07-11 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase. Febs J., 281, 2014
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4BGL
| Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus | Descriptor: | FE (III) ION, GLYCEROL, SUPEROXIDE REDUCTASE | Authors: | Bandeiras, T.M, Rodrigues, J.V, Sousa, C.M, Barradas, A.R, Pinho, F.G, Pinto, A.F, Teixeira, M, Matias, P.M, Romao, C.V. | Deposit date: | 2013-03-27 | Release date: | 2014-04-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Superoxide Reductase from Giardia Intestinalis: Structural Characterization of the First Sor from a Eukaryotic Organism Shows an Iron Centre that is Highly Sensitive to Photoreduction Acta Crystallogr.,Sect.D, 71, 2015
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4LNM
| Structure of Escherichia coli Threonine Aldolase in Complex with Serine | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Safo, M.K, Contestabile, R, Remesh, S.G. | Deposit date: | 2013-07-11 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase. Febs J., 281, 2014
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5OM9
| Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with a thiirane mechanism-based inhibitor | Descriptor: | (2~{R})-4-methyl-2-[(1~{S})-1-sulfanylethyl]pentanoic acid, Carboxypeptidase A1, ZINC ION | Authors: | Gallego, P, Granados, C, Fernandez, D, Pallares, I, Covaleda, G, Aviles, F.X, Vendrell, J, Reverter, D. | Deposit date: | 2017-07-28 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Mechanism-Based Inactivators for Human Pancreatic Carboxypeptidase A from a Focused Synthetic Library. ACS Med Chem Lett, 8, 2017
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3P0U
| Crystal Structure of the ligand binding domain of human testicular receptor 4 | Descriptor: | Nuclear receptor subfamily 2 group C member 2 | Authors: | Zhou, X.E, Suino-Powell, K.M, Xu, Y, Chan, C.-W, Kruse, S.W, Reynolds, R, Engel, J.D, Xu, H.E. | Deposit date: | 2010-09-29 | Release date: | 2010-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Orphan Nuclear Receptor TR4 Is a Vitamin A-activated Nuclear Receptor. J.Biol.Chem., 286, 2011
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1F5F
| CRYSTAL STRUCTURE OF THE N-TERMINAL G-DOMAIN OF SHBG IN COMPLEX WITH ZINC | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, CALCIUM ION, ISOPROPYL ALCOHOL, ... | Authors: | Avvakumov, V.A, Muller, Y.A, Hammond, G.L. | Deposit date: | 2000-06-14 | Release date: | 2000-09-06 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Steroid-binding specificity of human sex hormone-binding globulin is influenced by occupancy of a zinc-binding site. J.Biol.Chem., 275, 2000
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7BPR
| Crystal structure of human TEX101 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PLATINUM (II) ION, Testis-expressed protein 101 | Authors: | Masutani, M, Sakurai, S, Shimizu, T, Ohto, U. | Deposit date: | 2020-03-23 | Release date: | 2020-07-15 | Last modified: | 2020-12-23 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of TEX101, a glycoprotein essential for male fertility, reveals the presence of tandemly arranged Ly6/uPAR domains. Febs Lett., 594, 2020
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7BPS
| Crystal structure of mouse TEX101 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Testis-expressed protein 101, ... | Authors: | Masutani, M, Sakurai, S, Shimizu, T, Ohto, U. | Deposit date: | 2020-03-23 | Release date: | 2020-07-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of TEX101, a glycoprotein essential for male fertility, reveals the presence of tandemly arranged Ly6/uPAR domains. Febs Lett., 594, 2020
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2QPY
| AR LBD with small molecule | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Coactivator peptide, ... | Authors: | Estebanez-Perpina, E, Fletterick, R. | Deposit date: | 2007-07-25 | Release date: | 2007-09-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A surface on the androgen receptor that allosterically regulates coactivator binding. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2PKL
| Androgen receptor LBD with small molecule | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, ARA70 peptide, Androgen receptor, ... | Authors: | Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Guy, K.R, Webb, P, Fletterick, R.J. | Deposit date: | 2007-04-17 | Release date: | 2007-09-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | A surface on the androgen receptor that allosterically regulates coactivator binding. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2PIT
| Androgen receptor LBD with small molecule | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION, ... | Authors: | Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R. | Deposit date: | 2007-04-13 | Release date: | 2007-09-25 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A surface on the androgen receptor that allosterically regulates coactivator binding. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2PIU
| Androgen receptor LBD with small molecule | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, [4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID | Authors: | Estebanez-Perpina, E, Arnold, A.A, Baxter, J.D, Webb, P, Guy, R.K, Fletterick, K.R. | Deposit date: | 2007-04-13 | Release date: | 2007-09-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | A surface on the androgen receptor that allosterically regulates coactivator binding. Proc.Natl.Acad.Sci.Usa, 104, 2007
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3L3N
| Testis ACE co-crystal structure with novel inhibitor lisW | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, CHLORIDE ION, ... | Authors: | Watermeyer, J.M, Kroger, W.L, O'Neil, H.G, Sewell, B.T, Sturrock, E.D. | Deposit date: | 2009-12-17 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization of domain-selective inhibitor binding in angiotensin-converting enzyme using a novel derivative of lisinopril. Biochem.J., 428, 2010
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3BKL
| Testis ACE co-crystal structure with ketone ACE inhibitor kAW | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Watermeyer, J.M, Kroger, W.L, O'Neill, H.G, Sewell, B.T, Sturrock, E.D. | Deposit date: | 2007-12-07 | Release date: | 2008-06-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Probing the basis of domain-dependent inhibition using novel ketone inhibitors of Angiotensin-converting enzyme Biochemistry, 47, 2008
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6SOD
| Fragment N14056a in complex with MAP kinase p38-alpha | Descriptor: | 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Nichols, C.E, De Nicola, G.F. | Deposit date: | 2019-08-29 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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6SOV
| Fragments KCL_615 and KCL_802 in complex with MAP kinase p38-alpha | Descriptor: | (5~{S},7~{R})-3-azanyladamantan-1-ol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, ... | Authors: | Nichols, C.E, De Nicola, G.F. | Deposit date: | 2019-08-30 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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1TGG
| RH3 DESIGNED RIGHT-HANDED COILED COIL TRIMER | Descriptor: | CHLORIDE ION, NICKEL (II) ION, right-handed coiled coil trimer | Authors: | Plecs, J.J, Harbury, P.B, Kim, P.S, Alber, T. | Deposit date: | 2004-05-28 | Release date: | 2004-10-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural test of the parameterized-backbone method for protein design J.Mol.Biol., 342, 2004
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1JQU
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7F3P
| Crystal structure of a nadp-dependent alcohol dehydrogenase mutant in apo form | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent isopropanol dehydrogenase, ZINC ION | Authors: | Han, X, Bi, Y, Wei, H.L, Gao, J, Li, Q, Qu, G, Sun, Z.T, Liu, W.D. | Deposit date: | 2021-06-16 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Unlocking the Stereoselectivity and Substrate Acceptance of Enzymes: Proline-Induced Loop Engineering Test. Angew.Chem.Int.Ed.Engl., 61, 2022
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7OOJ
| Structure of D-Thr53 Ubiquitin | Descriptor: | CADMIUM ION, Ubiquitin | Authors: | Becker, S. | Deposit date: | 2021-05-27 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A litmus test for classifying recognition mechanisms of transiently binding proteins. Nat Commun, 13, 2022
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7EAG
| Crystal structure of the RAGATH-18 k-turn | Descriptor: | RNA (5'-R(*GP*UP*CP*UP*AP*UP*GP*AP*AP*GP*GP*CP*UP*GP*GP*AP*GP*AP*C)-3') | Authors: | Huang, L, Lilley, D.M.J. | Deposit date: | 2021-03-07 | Release date: | 2021-06-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and folding of four putative kink turns identified in structured RNA species in a test of structural prediction rules. Nucleic Acids Res., 49, 2021
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