4FEI
 
 | | Hsp17.7 from Deinococcus radiodurans | | Descriptor: | Heat shock protein-related protein | | Authors: | Bepperling, A, Alte, F, Kriehuber, T, Braun, N, Weinkauf, S, Groll, M, Haslbeck, M, Buchner, J. | | Deposit date: | 2012-05-30 | | Release date: | 2012-12-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Alternative bacterial two-component small heat shock protein systems.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3CKR
 | | Crystal structure of BACE-1 in complex with inhibitor | | Descriptor: | (4S)-1,4-dibenzyl-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide, Beta-secretase 1 | | Authors: | Min, K. | | Deposit date: | 2008-03-16 | | Release date: | 2008-06-03 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Synthesis, SAR, and X-ray structure of human BACE-1 inhibitors with cyclic urea derivatives
Bioorg.Med.Chem.Lett., 18, 2008
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3CZ5
 | | Crystal structure of two-component response regulator, LuxR family, from Aurantimonas sp. SI85-9A1 | | Descriptor: | PHOSPHATE ION, Two-component response regulator, LuxR family | | Authors: | Malashkevich, V.N, Toro, R, Wasserman, S.R, Meyer, A, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-04-28 | | Release date: | 2008-05-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of two-component response regulator, LuxR family, from Aurantimonas sp. SI85-9A1.
To be Published
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4JN4
 | | Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK, GLYCEROL, ... | | Authors: | Qi, R, Sarbeng, E.B, Liu, Q, Le, K.Q, Xu, X, Xu, H, Yang, J, Wong, J.L, Vorvis, C, Hendrickson, W.A, Zhou, L, Liu, Q. | | Deposit date: | 2013-03-14 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP.
Nat.Struct.Mol.Biol., 20, 2013
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4A7E
 | | X-ray crystal structure of porcine insulin flash-cooled at high pressure | | Descriptor: | INSULIN A CHAIN, INSULIN B CHAIN | | Authors: | Burkhardt, A, Warmer, M, Panneerselvam, S, Wagner, A, Reimer, R, Hohenberg, H, Meents, A. | | Deposit date: | 2011-11-14 | | Release date: | 2011-11-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.856 Å) | | Cite: | Fast High-Pressure Freezing of Protein Crystals in Their Mother Liquor
Acta Crystallogr.,Sect.F, 68, 2012
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4A7D
 | | X-ray crystal structure of HEWL flash-cooled at high pressure | | Descriptor: | CHLORIDE ION, LYSOZYME C, SODIUM ION | | Authors: | Burkhardt, A, Warmer, M, Panneerselvam, S, Wagner, A, Reimer, R, Hohenberg, H, Meents, A. | | Deposit date: | 2011-11-14 | | Release date: | 2011-11-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.497 Å) | | Cite: | Fast High-Pressure Freezing of Protein Crystals in Their Mother Liquor
Acta Crystallogr.,Sect.F, 68, 2012
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4H5V
 | | HSC70 NBD with Mg | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Stec, B. | | Deposit date: | 2012-09-18 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition.
Biochimie, 108, 2015
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4H6O
 | | Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole | | Descriptor: | 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase | | Authors: | Wawrzak, Z, Hargrove, T.Y, Pollastri, M.P, Lepesheva, G.I. | | Deposit date: | 2012-09-19 | | Release date: | 2013-03-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Antitrypanosomal Lead Discovery: Identification of a Ligand-Efficient Inhibitor of Trypanosoma cruzi CYP51 and Parasite Growth.
J.Med.Chem., 56, 2013
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4H6X
 | | Structure of Patellamide maturation protease PatG | | Descriptor: | Thiazoline oxidase/subtilisin-like protease | | Authors: | Nair, S.K, Agarwal, V. | | Deposit date: | 2012-09-19 | | Release date: | 2012-10-03 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of cyanobactin maturation enzymes define a family of transamidating proteases.
Chem.Biol., 19, 2012
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3D6Q
 | | The RNase A- 5'-Deoxy-5'-N-piperidinouridine complex | | Descriptor: | 1-(5-deoxy-5-piperidin-1-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione, CITRATE ANION, Ribonuclease pancreatic | | Authors: | Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | | Deposit date: | 2008-05-20 | | Release date: | 2009-02-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Morpholino, piperidino, and pyrrolidino derivatives of pyrimidine nucleosides as inhibitors of ribonuclease A: synthesis, biochemical, and crystallographic evaluation.
J.Med.Chem., 52, 2009
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4H9F
 | | Radiation damage study of lysozyme - 0.91 MGy | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C | | Authors: | Sutton, K.A. | | Deposit date: | 2012-09-24 | | Release date: | 2013-05-15 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.2003 Å) | | Cite: | Insights into the mechanism of X-ray-induced disulfide-bond cleavage in lysozyme crystals based on EPR, optical absorption and X-ray diffraction studies.
Acta Crystallogr.,Sect.D, 69, 2013
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4ABF
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 1-(5-BROMO-1-BENZOTHIOPHEN-3-YL)METHANAMINE, CALCIUM ION, ... | | Authors: | Newman, J, Peat, T.S. | | Deposit date: | 2011-12-08 | | Release date: | 2012-02-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
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4AJU
 | | Crystal structure of the reactive loop cleaved ZPI in P41 space group | | Descriptor: | 1,2-ETHANEDIOL, PROTEIN Z-DEPENDENT PROTEASE INHIBITOR, SULFATE ION | | Authors: | Zhou, A, Yan, Y, Wei, Z. | | Deposit date: | 2012-02-19 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural Basis for Catalytic Activation of Protein Z-Dependent Protease Inhibitor (Zpi) by Protein Z.
Blood, 120, 2012
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3CXI
 | | Structure of BthTX-I complexed with alpha-tocopherol | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Myotoxic phospholipase A2-like, SULFATE ION, ... | | Authors: | dos Santos, J.I, Fontes, M.R.M. | | Deposit date: | 2008-04-24 | | Release date: | 2009-05-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Comparative structural studies on Lys49-phospholipases A(2) from Bothrops genus reveal their myotoxic site.
J.Struct.Biol., 167, 2009
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3CY0
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4FMX
 | | Crystal Structure of Substrate-Bound P450cin | | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, GLYCEROL, P450cin, ... | | Authors: | Madrona, Y, Tripathi, S.M, Huiying, L, Poulos, T.L. | | Deposit date: | 2012-06-18 | | Release date: | 2012-07-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.554 Å) | | Cite: | Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
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4BD4
 | | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, mutant H43F | | Descriptor: | GLYCEROL, SUPEROXIDE DISMUTASE [CU-ZN] | | Authors: | Awad, W, Saraboji, K, Danielsson, J, Lang, L, Kurnik, M, Marklund, S.L, Oliveberg, M, Logan, D.T. | | Deposit date: | 2012-10-04 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Global Structural Motions from the Strain of a Single Hydrogen Bond.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4FGX
 | | Crystal structure of bace1 with novel inhibitor | | Descriptor: | Beta-secretase 1, DI(HYDROXYETHYL)ETHER, Inhibitor (2R,5S,8S,12S,13S,16S,19S,22S)-16-(3-amino-3-oxopropyl)-2,13-dibenzyl-12,22-dihydroxy-8-isobutyl-19-isopropyl-3,5,17-trimethyl-4,7,10,15,18,21-hexaoxo-3,6,9,14,17,20-hexaazatricosan-1-oic acid, ... | | Authors: | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | | Deposit date: | 2012-06-05 | | Release date: | 2013-01-16 | | Last modified: | 2021-09-15 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
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4FH6
 | | Structure of DHP A in complex with 2,4,6-tribromophenol in 10% DMSO | | Descriptor: | 2,4,6-TRIBROMOPHENOL, DIMETHYL SULFOXIDE, Dehaloperoxidase A, ... | | Authors: | de Serrano, V.S, Franzen, S. | | Deposit date: | 2012-06-05 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structural and Kinetic Study of an Internal Substrate Binding Site in Dehaloperoxidase-Hemoglobin A from Amphitrite ornata.
Biochemistry, 52, 2013
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4FHQ
 | | Crystal Structure of HVEM | | Descriptor: | Tumor necrosis factor receptor superfamily member 14 | | Authors: | Liu, W, Zhan, C, Patskovsky, Y, Bhosle, R.C, Nathenson, S.G, Almo, S.C, Atoms-to-Animals: The Immune Function Network (IFN), New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-06-06 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | Increased Heterologous Protein Expression in Drosophila S2 Cells for Massive Production of Immune Ligands/Receptors and Structural Analysis of Human HVEM.
Mol Biotechnol, 57, 2015
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4HGC
 | | Crystal structure of bovine trypsin complexed with sfti-1 analog containing a peptoid residue at position p1 | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Krzywda, S, Jaskolski, M, Rolka, K, Stawikowski, M. | | Deposit date: | 2012-10-08 | | Release date: | 2013-10-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Structure of a proteolytically resistant analogue of (NLys)(5)SFTI-1 in complex with trypsin: evidence for the direct participation of the Ser214 carbonyl group in serine protease-mediated proteolysis.
Acta Crystallogr.,Sect.D, 70, 2014
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4BJK
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3D6P
 | | RNase A- 5'-Deoxy-5'-N-morpholinouridine complex | | Descriptor: | 1-(5-deoxy-5-morpholin-4-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione, Ribonuclease pancreatic | | Authors: | Leonidas, D.D, Zogrpahos, S.E, Oikonomakos, N.G. | | Deposit date: | 2008-05-20 | | Release date: | 2009-02-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Morpholino, piperidino, and pyrrolidino derivatives of pyrimidine nucleosides as inhibitors of ribonuclease A: synthesis, biochemical, and crystallographic evaluation.
J.Med.Chem., 52, 2009
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4BB2
 | | Crystal structure of cleaved corticosteroid-binding globulin in complex with progesterone | | Descriptor: | 1,2-ETHANEDIOL, CORTICOSTEROID-BINDING GLOBULIN, CYSTEINE, ... | | Authors: | Gardill, B.R, Vogl, M.R, Lin, H, Hammond, G.L, Muller, Y.A. | | Deposit date: | 2012-09-19 | | Release date: | 2012-12-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Corticosteroid-Binding Globulin: Structure-Function Implications from Species Differences
Plos One, 7, 2012
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4BAF
 | | Hen egg-white lysozyme structure in complex with the europium tris- hydroxyethyltriazoledipicolinate complex at 1.51 A resolution. | | Descriptor: | 4-(4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Talon, R, Kahn, R, Gautier, A, Nauton, L, Girard, E. | | Deposit date: | 2012-09-14 | | Release date: | 2012-11-14 | | Last modified: | 2019-03-06 | | Method: | X-RAY DIFFRACTION (1.507 Å) | | Cite: | Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination.
Chem.Commun.(Camb.), 48, 2012
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