5DKI
 
 | | Yeast 20S proteasome in complex with alkyne-PI | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | | Authors: | Beck, P, Cui, H, Groll, M. | | Deposit date: | 2015-09-03 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Targeted Delivery of Proteasome Inhibitors to Somatostatin-Receptor-Expressing Cancer Cells by Octreotide Conjugation.
Chemmedchem, 10, 2015
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4ZHK
 | | Crystal structure of RPE65 in complex with MB-002 | | Descriptor: | (1R)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol, (1S)-1-[3-(cyclohexylmethoxy)phenyl]propane-1,3-diol, FE (II) ION, ... | | Authors: | Kiser, P.D, Palczewski, K. | | Deposit date: | 2015-04-25 | | Release date: | 2015-05-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Molecular pharmacodynamics of emixustat in protection against retinal degeneration.
J.Clin.Invest., 125, 2015
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5DMJ
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5DNE
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4Z0X
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4BL3
 | | Crystal structure of PBP2a clinical mutant N146K from MRSA | | Descriptor: | CADMIUM ION, CHLORIDE ION, PENICILLIN BINDING PROTEIN 2 PRIME, ... | | Authors: | Otero, L.H, Rojas-Altuve, A, Carrasco-Lopez, C, Hermoso, J.A. | | Deposit date: | 2013-04-30 | | Release date: | 2014-05-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Disruption of Allosteric Response as an Unprecedented Mechanism of Resistance to Antibiotics.
J.Am.Chem.Soc., 136, 2014
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2PC0
 | | Apo Wild-type HIV Protease in the open conformation | | Descriptor: | MAGNESIUM ION, Protease, R-1,2-PROPANEDIOL | | Authors: | Heaslet, H, Rosenfeld, R, Giffin, M.J, Elder, J.H, McRee, D.E, Stout, C.D. | | Deposit date: | 2007-03-29 | | Release date: | 2007-06-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Conformational flexibility in the flap domains of ligand-free HIV protease.
Acta Crystallogr.,Sect.D, 63, 2007
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2P1V
 | | Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-propoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2 | | Descriptor: | (2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha | | Authors: | Bourguet, W, Nahoum, V. | | Deposit date: | 2007-03-06 | | Release date: | 2007-10-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Modulators of the structural dynamics of the retinoid X receptor to reveal receptor function.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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7UMO
 | | Structure of Unc119-inhibitor complex. | | Descriptor: | (3s,5s,7s)-N-(4,5-dichloropyridin-2-yl)adamantane-1-carboxamide, GLYCEROL, Protein unc-119 homolog A | | Authors: | Srivastava, D, Sebag, J.A, Artemyev, N.O. | | Deposit date: | 2022-04-07 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Insulin sensitization by small molecules enhancing GLUT4 translocation.
Cell Chem Biol, 30, 2023
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4BB6
 | | Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors | | Descriptor: | 6-(4-methylpiperazin-1-yl)-N-[(1R,3S)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide, CHLORIDE ION, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, ... | | Authors: | Goldberg, F.W, Leach, A.G, Scott, J.S, Snelson, W.L, Groombridge, S.D, Donald, C.S, Bennett, S.N.L, Bodin, C, Morentin Gutierrez, P, Gyte, A.C. | | Deposit date: | 2012-09-20 | | Release date: | 2012-11-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Free-Wilson and Structural Approaches to Co- Optimising Human and Rodent Isoform Potency for 11Beta-Hydroxysteroid Dehydrogenase Type 1 (11Beta-Hsd1) Inhibitors
J.Med.Chem., 55, 2012
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2PEQ
 | | Crystal structure of RbcX, crystal form II | | Descriptor: | ORF134 | | Authors: | Saschenbrecker, S, Bracher, A, Vasudeva Rao, K, Vasudeva Rao, B, Hartl, F.U, Hayer-Hartl, M. | | Deposit date: | 2007-04-03 | | Release date: | 2007-07-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and Function of RbcX, an Assembly Chaperone for Hexadecameric Rubisco.
Cell(Cambridge,Mass.), 129, 2007
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4BCK
 | | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | | Descriptor: | 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2012-10-02 | | Release date: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (2.052 Å) | | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
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2P1T
 | | Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-methoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2 | | Descriptor: | (2E)-3-[4-HYDROXY-3-(3-METHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha | | Authors: | Bourguet, W, Nahoum, V. | | Deposit date: | 2007-03-06 | | Release date: | 2007-10-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Modulators of the structural dynamics of the retinoid X receptor to reveal receptor function.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2PEM
 | | Crystal structure of RbcX in complex with substrate | | Descriptor: | ORF134, RbcL | | Authors: | Saschenbrecker, S, Bracher, A, Vasudeva Rao, K, Vasudeva Rao, B, Hartl, F.U, Hayer-Hartl, M. | | Deposit date: | 2007-04-03 | | Release date: | 2007-07-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure and Function of RbcX, an Assembly Chaperone for Hexadecameric Rubisco.
Cell(Cambridge,Mass.), 129, 2007
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5DRW
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4BC0
 | | Structure of mouse acetylcholinesterase inhibited by CBDP (12-h soak) : Cresyl-phosphoserine adduct | | Descriptor: | (2-methylphenyl) dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | Authors: | Carletti, E, Colletier, J.-P, Schopfer, L.M, Santoni, G, Masson, P, Lockridge, O, Nachon, F, Weik, M. | | Deposit date: | 2012-09-30 | | Release date: | 2013-02-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Inhibition Pathways of the Potent Organophosphate Cbdp with Cholinesterases Revealed by X-Ray Crystallographic Snapshots and Mass Spectrometry
Chem.Res.Toxicol., 26, 2013
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4BCJ
 | | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | | Descriptor: | 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1 | | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2012-10-02 | | Release date: | 2013-01-09 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (3.162 Å) | | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
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5AUZ
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2PEI
 | | Crystal structure of selenomethionine-labeled RbcX | | Descriptor: | ORF134 | | Authors: | Saschenbrecker, S, Bracher, A, Vasudeva Rao, K, Vasudeva Rao, B, Hartl, F.U, Hayer-Hartl, M. | | Deposit date: | 2007-04-03 | | Release date: | 2007-07-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure and Function of RbcX, an Assembly Chaperone for Hexadecameric Rubisco.
Cell(Cambridge,Mass.), 129, 2007
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4ZA0
 | | Structure of Human Enolase 2 in complex with Phosphonoacetohydroxamate | | Descriptor: | Gamma-enolase, MAGNESIUM ION, PHOSPHONOACETOHYDROXAMIC ACID | | Authors: | Leonard, P.G, Maxwell, D, Czako, B, Muller, F.L. | | Deposit date: | 2015-04-13 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | SF2312 is a natural phosphonate inhibitor of enolase.
Nat.Chem.Biol., 12, 2016
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4BIA
 | | Crystal structure of SCP2 thiolase from Trypanosoma brucei: The C337A mutant. | | Descriptor: | 3-KETOACYL-COA THIOLASE, PUTATIVE | | Authors: | Harijan, R.K, Kiema, T.-R, Weiss, M.S, Michels, P.A.M, Wierenga, R.K. | | Deposit date: | 2013-04-10 | | Release date: | 2013-08-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of Scp2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: The Importance for Catalysis of the Cysteine of the Unique Hdcf Loop.
Biochem.J., 455, 2013
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2PJ1
 | | CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B (3-Aminomethyl-phenyl)-[((R)-1-benzyloxycarbonylamino-2-methyl-propyl)-hydroxy-phosphinoyloxy]-acetic acid COMPLEX | | Descriptor: | (5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, Carboxypeptidase B, ZINC ION | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2007-04-15 | | Release date: | 2008-01-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
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4ZE0
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with Voriconazole | | Descriptor: | Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole | | Authors: | Sagatova, A, Keniya, M.V, Wilson, R, Tyndall, J.D.A, Monk, B.C. | | Deposit date: | 2015-04-20 | | Release date: | 2016-03-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
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4ZDZ
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with fluconazole | | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C. | | Deposit date: | 2015-04-20 | | Release date: | 2016-03-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
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4ZGM
 | | Crystal structure of Semaglutide peptide backbone in complex with the GLP-1 receptor extracellular domain | | Descriptor: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol, Glucagon-like peptide 1 receptor, Semaglutide peptide backbone; 8Aib,34R-GLP-1(7-37)-OH | | Authors: | Reedtz-Runge, S. | | Deposit date: | 2015-04-23 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of the Once-Weekly Glucagon-Like Peptide-1 (GLP-1) Analogue Semaglutide.
J.Med.Chem., 58, 2015
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