3UO1
 
 | | Structure of a monoclonal antibody complexed with its MHC-I antigen | | Descriptor: | ANTI-MHC-I MONOCLONAL ANTIBODY, 64-3-7 H CHAIN, 64-3-7 L CHAIN, ... | | Authors: | Margulies, D.H, Mage, M.G, Wang, R, Natarajan, K. | | Deposit date: | 2011-11-16 | | Release date: | 2012-07-25 | | Last modified: | 2012-08-01 | | Method: | X-RAY DIFFRACTION (1.641 Å) | | Cite: | The Peptide-receptive transition state of MHC class I molecules: insight from structure and molecular dynamics.
J.Immunol., 189, 2012
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2R91
 | | Crystal Structure of KD(P)GA from T.tenax | | Descriptor: | 2-Keto-3-deoxy-(6-phospho-)gluconate aldolase, SULFATE ION | | Authors: | Pauluhn, A, Pohl, E, Lorentzen, E, Siebers, B, Ahmed, H, Buchinger, S, Schomburg, D. | | Deposit date: | 2007-09-12 | | Release date: | 2008-03-18 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure and stereochemical studies of KD(P)G aldolase from Thermoproteus tenax.
Proteins, 72, 2008
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4OYZ
 | | Human solAC Complexed with Bicarbonate | | Descriptor: | Adenylate cyclase type 10, BICARBONATE ION, GLYCEROL | | Authors: | Vinkovic, M. | | Deposit date: | 2014-02-13 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
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3UO6
 | | Aurora A in complex with YL5-083 | | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(2-chlorophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-11-16 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8002 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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4OZD
 | | Crystal structure of PdSP15a | | Descriptor: | 14.4 kDa salivary protein | | Authors: | Andersen, J.F, Alvarenga, P.H. | | Deposit date: | 2014-02-14 | | Release date: | 2015-03-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Protection against cutaneous leishmaniasis in non-human primates by immunization with an insect salivary protein
To be published
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3V3Z
 | | I(L177)H mutant structure of photosynthetic reaction center from Rhodobacter sphaeroides | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | | Authors: | Gabdulkhakov, A.G, Fufina, T.Y, Vasilieva, L.G, Shuvalov, V.A. | | Deposit date: | 2011-12-14 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The site-directed mutation I(L177)H in Rhodobacter sphaeroides reaction center affects coordination of P(A) and B(B) bacteriochlorophylls.
Biochim.Biophys.Acta, 1817, 2012
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4OZY
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3UOE
 | | The crystal structure of dehydrogenase from Sinorhizobium meliloti | | Descriptor: | Dehydrogenase | | Authors: | Zhang, Z, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-11-16 | | Release date: | 2011-11-30 | | Method: | X-RAY DIFFRACTION (2.311 Å) | | Cite: | The crystal structure of dehydrogenase from Sinorhizobium meliloti
To be Published
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2R9U
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3V4E
 | | Crystal Structure of the galactoside O-acetyltransferase in complex with CoA | | Descriptor: | COENZYME A, DI(HYDROXYETHYL)ETHER, Galactoside O-acetyltransferase, ... | | Authors: | Knapik, A.A, Shumilin, I.A, Luo, H.-B, Chruszcz, M, Zimmerman, M.D, Cymborowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-12-14 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Biophysical analysis of the putative acetyltransferase SACOL2570 from methicillin-resistant Staphylococcus aureus.
J.Struct.Funct.Genom., 14, 2013
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4OCD
 | | In and Out the minor groove: Interaction of an AT rich-DNA with the CD27 drug | | Descriptor: | N1-(4,5-dihydro-1H-imidazol-2-yl)-N4-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)benzene-1,4-diamine, d(AAAATTTT) | | Authors: | Acosta-Reyes, F.J, Dardonville, C, de Koning, H.P, Natto, M, Subirana, J.A, Campos, J.L. | | Deposit date: | 2014-01-08 | | Release date: | 2014-06-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | In and out of the minor groove: interaction of an AT-rich DNA with the drug CD27
Acta Crystallogr.,Sect.D, D70, 2014
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3UOJ
 | | Aurora A in complex with RPM1715 | | Descriptor: | 4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2011-11-16 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9003 Å) | | Cite: | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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4P0F
 | | Cleaved Serpin 42Da (C 2 2 21) | | Descriptor: | Serine protease inhibitor 4, isoform B | | Authors: | Ellisdon, A.M, Whisstock, J.C. | | Deposit date: | 2014-02-21 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High resolution structure of cleaved Serpin 42 Da from Drosophila melanogaster.
Bmc Struct.Biol., 14, 2014
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4H3C
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4OCG
 | | Structure of the Shewanella loihica PV-4 NADH-dependent persulfide reductase F161A Mutant | | Descriptor: | COENZYME A, FAD-dependent pyridine nucleotide-disulphide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Lee, K.-H, Sazinsky, M.H, Crane, E.J. | | Deposit date: | 2014-01-09 | | Release date: | 2014-08-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Characterization of the mechanism of the NADH-dependent polysulfide reductase (Npsr) from Shewanella loihica PV-4: Formation of a productive NADH-enzyme complex and its role in the general mechanism of NADH and FAD-dependent enzymes.
Biochim.Biophys.Acta, 1844, 2014
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3V1C
 | | Crystal structure of de novo designed MID1-zinc | | Descriptor: | Computational design, MID1-zinc, L(+)-TARTARIC ACID, ... | | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | | Deposit date: | 2011-12-09 | | Release date: | 2012-01-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.129 Å) | | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
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4O9V
 | | Crystal structure of matriptase in complex with inhibitor | | Descriptor: | N-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein | | Authors: | Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S. | | Deposit date: | 2014-01-03 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy.
Bioorg.Med.Chem., 22, 2014
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4OD7
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4HC8
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4OB2
 | | Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Butaneboronic Acid via Crystal Soaking | | Descriptor: | 1-BUTANE BORONIC ACID, COBALT (II) ION, Cobalt-containing nitrile hydratase subunit alpha, ... | | Authors: | Rui, W, Salette, M, Ruslan, S, Richard, H, Dali, L. | | Deposit date: | 2014-01-06 | | Release date: | 2014-11-26 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | The active site sulfenic acid ligand in nitrile hydratases can function as a nucleophile.
J.Am.Chem.Soc., 136, 2014
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3V1X
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4OEF
 | | Crystal Structure Analysis of FGF2-Disaccharide (S6I2) complex | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-1-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid, Fibroblast growth factor 2 | | Authors: | Li, Y.C, Hsiao, C.D. | | Deposit date: | 2014-01-13 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Interactions that influence the binding of synthetic heparan sulfate based disaccharides to fibroblast growth factor-2.
Acs Chem.Biol., 9, 2014
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3V2W
 | | Crystal Structure of a Lipid G protein-Coupled Receptor at 3.35A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Sphingosine 1-phosphate receptor 1, Lysozyme chimera, ... | | Authors: | Hanson, M.A, Roth, C.B, Jo, E, Griffith, M.T, Scott, F.L, Reinhart, G, Desale, H, Clemons, B, Cahalan, S.M, Schuerer, S.C, Sanna, M.G, Han, G.W, Kuhn, P, Rosen, H, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2011-12-12 | | Release date: | 2012-02-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Crystal structure of a lipid G protein-coupled receptor.
Science, 335, 2012
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4OEK
 | | Crystal Structure of the Complex of goat Lactoperoxidase with Phenylethylamine at 2.47 A Resolution | | Descriptor: | 1,2-ETHANEDIOL, 2-PHENYLETHYLAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kumar, M, Singh, R.P, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2014-01-13 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Crystal Structure of the Complex of goat Lactoperoxidase with Phenylethylamine at 2.47 A
To be Published
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3V66
 | | HUMAN SQUALENE SYNTHASE IN COMPLEX WITH 2-(1-{2-[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}-4-piperidinyl)acetic acid | | Descriptor: | (1-{[(4R,6S)-8-chloro-6-(2,3-dimethoxyphenyl)-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl]acetyl}piperidin-4-yl)acetic acid, PHOSPHATE ION, Squalene synthase | | Authors: | Suzuki, M, Ohtsuka, M, Ohki, H, Haginoya, N, Itoh, M, Sugita, K, Usui, H, Ichikawa, M, Higashihashi, N. | | Deposit date: | 2011-12-18 | | Release date: | 2012-12-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of novel tricyclic compounds as squalene synthase inhibitors
Bioorg.Med.Chem., 20, 2012
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