6WY0
 
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | | Authors: | Khan, J.A. | | Deposit date: | 2020-05-12 | | Release date: | 2020-10-14 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.799 Å) | | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
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1JLI
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6WY7
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-41 A.K.A 7-[1-phenyl-3-({4-phenylbicyclo[2.2.2]octan-1-yl}amino)propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | | Authors: | Khan, J.A. | | Deposit date: | 2020-05-12 | | Release date: | 2020-10-14 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.089 Å) | | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
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6WXZ
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-29 A.K.A 7-(1,2-DIPHENYLETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | | Authors: | Khan, J.A. | | Deposit date: | 2020-05-12 | | Release date: | 2020-10-14 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.226 Å) | | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
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3D00
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2C0E
 | | Structure of PDI-related Chaperone, Wind with his-tag on C-terminus. | | Descriptor: | WINDBEUTEL PROTEIN | | Authors: | Sevvana, M, Ma, Q, Barnewitz, K, Guo, C, Soling, H.-D, Ferrari, D.M, Sheldrick, G.M. | | Deposit date: | 2005-09-01 | | Release date: | 2006-08-29 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural Elucidation of the Pdi-Related Chaperone Wind with the Help of Mutants.
Acta Crystallogr.,Sect.D, 62, 2006
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6WYD
 | | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-12 (AKA; 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyrid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-benzyl-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ... | | Authors: | Khan, J.A. | | Deposit date: | 2020-05-12 | | Release date: | 2020-10-14 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
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5L3M
 | | D11 bound [S39_PQ]-IGF-II | | Descriptor: | Insulin-like growth factor II | | Authors: | Hexnerova, R. | | Deposit date: | 2016-05-23 | | Release date: | 2016-08-10 | | Last modified: | 2024-10-23 | | Method: | SOLUTION NMR | | Cite: | Probing Receptor Specificity by Sampling the Conformational Space of the Insulin-like Growth Factor II C-domain.
J.Biol.Chem., 291, 2016
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1SPY
 | | REGULATORY DOMAIN OF HUMAN CARDIAC TROPONIN C IN THE CALCIUM-FREE STATE, NMR, 40 STRUCTURES | | Descriptor: | TROPONIN C | | Authors: | Spyracopoulos, L, Li, M.X, Sia, S.K, Gagne, S.M, Chandra, M, Solaro, R.J, Sykes, B.D. | | Deposit date: | 1997-07-14 | | Release date: | 1998-09-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Calcium-induced structural transition in the regulatory domain of human cardiac troponin C.
Biochemistry, 36, 1997
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7XT1
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1KA7
 | | SAP/SH2D1A bound to peptide n-Y-c | | Descriptor: | SH2 DOMAIN PROTEIN 1A, peptide n-Y-c | | Authors: | Hwang, P.M, Li, C, Morra, M, Lillywhite, J, Gertler, F, Terhorst, C, Kay, L.E, Pawson, T, Forman-Kay, J, Li, S.-C. | | Deposit date: | 2001-10-31 | | Release date: | 2001-11-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | A "three-pronged" binding mechanism for the SAP/SH2D1A SH2 domain: structural basis and relevance to the XLP syndrome.
EMBO J., 21, 2002
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1SZI
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7S5O
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8U7Y
 | | Structural Basis of Human NOX5 Activation | | Descriptor: | DECANE, DODECANE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Cui, C, Jiang, M, Sun, J. | | Deposit date: | 2023-09-15 | | Release date: | 2024-04-24 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (4.06 Å) | | Cite: | Structural basis of human NOX5 activation.
Nat Commun, 15, 2024
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2BFW
 | | Structure of the C domain of glycogen synthase from Pyrococcus abyssi | | Descriptor: | ACETATE ION, GLGA GLYCOGEN SYNTHASE, SULFATE ION | | Authors: | Horcajada, C, Guinovart, J.J, Fita, I, Ferrer, J.C. | | Deposit date: | 2004-12-15 | | Release date: | 2005-11-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of an Archaeal Glycogen Synthase: Insights Into Oligomerisation and Substrate Binding of Eukaryotic Glycogen Synthases.
J.Biol.Chem., 281, 2006
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2BLF
 | | Sulfite dehydrogenase from Starkeya Novella | | Descriptor: | (MOLYBDOPTERIN-S,S)-OXO-MOLYBDENUM, HEME C, SULFATE ION, ... | | Authors: | Bailey, S, Kappler, U. | | Deposit date: | 2005-03-04 | | Release date: | 2005-04-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular Basis of Intramolecular Electron Transfer in Sulfite-Oxidizing Enzymes is Revealed by High Resolution Structure of a Heterodimeric Complex of the Catalytic Molybdopterin Subunit and a C-Type Cytochrome Subunit.
J.Biol.Chem., 280, 2005
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1K8F
 | | CRYSTAL STRUCTURE OF THE HUMAN C-TERMINAL CAP1-ADENYLYL CYCLASE ASSOCIATED PROTEIN | | Descriptor: | ADENYLYL CYCLASE-ASSOCIATED PROTEIN | | Authors: | Patskovsky, Y.V, Chance, M, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2001-10-24 | | Release date: | 2003-07-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the actin binding domain of the cyclase-associated protein.
Biochemistry, 43, 2004
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9BKV
 | | DosP R97A bent form | | Descriptor: | Oxygen sensor protein DosP, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kumar, P, Kober, D.L. | | Deposit date: | 2024-04-29 | | Release date: | 2024-11-20 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Structures of the multi-domain oxygen sensor DosP: remote control of a c-di-GMP phosphodiesterase by a regulatory PAS domain.
Nat Commun, 15, 2024
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9BGV
 | | DosP R97A straight form | | Descriptor: | Oxygen sensor protein DosP, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kumar, P, Kober, D.L. | | Deposit date: | 2024-04-19 | | Release date: | 2024-11-20 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Structures of the multi-domain oxygen sensor DosP: remote control of a c-di-GMP phosphodiesterase by a regulatory PAS domain.
Nat Commun, 15, 2024
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9BAX
 | | PI4KA complex bound to C-terminus of EFR3A | | Descriptor: | Hyccin, Phosphatidylinositol 4-kinase alpha, Protein EFR3 homolog A, ... | | Authors: | Shaw, A.L, Suresh, S, Yip, C.K, Burke, J.E. | | Deposit date: | 2024-04-04 | | Release date: | 2024-11-27 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Molecular basis for plasma membrane recruitment of PI4KA by EFR3.
Sci Adv, 10, 2024
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2RB3
 | | Crystal Structure of Human Saposin D | | Descriptor: | GLYCEROL, Proactivator polypeptide, SULFATE ION | | Authors: | Maier, T, Rossman, M, Saenger, W. | | Deposit date: | 2007-09-18 | | Release date: | 2008-04-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of human saposins C and d: implications for lipid recognition and membrane interactions.
Structure, 16, 2008
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1TEC
 | | CRYSTALLOGRAPHIC REFINEMENT BY INCORPORATION OF MOLECULAR DYNAMICS. THE THERMOSTABLE SERINE PROTEASE THERMITASE COMPLEXED WITH EGLIN-C | | Descriptor: | CALCIUM ION, EGLIN C, SODIUM ION, ... | | Authors: | Gros, P, Dijkstra, B.W, Hol, W.G.J. | | Deposit date: | 1989-05-24 | | Release date: | 1989-10-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic refinement by incorporation of molecular dynamics: thermostable serine protease thermitase complexed with eglin c.
Acta Crystallogr.,Sect.B, 45, 1989
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4CDD
 | | Human DPP1 in complex with (2S)-N-((1S)-1-cyano-2-(4-(4-cyanophenyl) phenyl)ethyl)piperidine-2-carboxamide | | Descriptor: | (2S)-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]PIPERIDINE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | | Deposit date: | 2013-10-31 | | Release date: | 2014-03-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate.
J.Med.Chem., 57, 2014
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7XQF
 | | Structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel in POPE/CHS nanodiscs | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Gap junction alpha-1 protein, PHOSPHATIDYLETHANOLAMINE, ... | | Authors: | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | | Deposit date: | 2022-05-07 | | Release date: | 2023-02-22 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
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7XQD
 | | Structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel in POPE/CHS nanodiscs (C1 symmetry) | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Gap junction alpha-1 protein, PHOSPHATIDYLETHANOLAMINE, ... | | Authors: | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | | Deposit date: | 2022-05-07 | | Release date: | 2023-02-22 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
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