5XA0
 
 | | Crystal structure of inositol 1,4,5-trisphosphate receptor cytosolic domain | | Descriptor: | Inositol 1,4,5-trisphosphate receptor type 1 | | Authors: | Hamada, K, Miyatake, H, Terauchi, A, Mikoshiba, K. | | Deposit date: | 2017-03-10 | | Release date: | 2017-04-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (5.812 Å) | | Cite: | IP3-mediated gating mechanism of the IP3 receptor revealed by mutagenesis and X-ray crystallography
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8CDF
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6EGU
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6XQU
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2P2N
 | | Crystal Structure and Allosteric Regulation of the Cytoplasmic Escherichia coli L-Asparaginase I | | Descriptor: | 1,2-ETHANEDIOL, ASPARAGINE, ASPARTIC ACID, ... | | Authors: | Yun, M.-K, Nourse, A, White, S.W, Rock, C.O, Heath, R.J. | | Deposit date: | 2007-03-07 | | Release date: | 2007-05-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure and Allosteric Regulation of the Cytoplasmic Escherichia colil-Asparaginase I
J.Mol.Biol., 369, 2007
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8C7V
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1U6E
 | | 1.85 Angstrom Crystal Structure of the C112A Mutant of Mycobacterium Tuberculosis Beta-Ketoacyl-Acyl Carrier Protein Synthase III (FabH) | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase III, CHLORIDE ION | | Authors: | Mussayev, F, Sachedeva, S, Scarsdale, J.N, Reynolds, K.A, Wright, H.T. | | Deposit date: | 2004-07-29 | | Release date: | 2005-05-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of a substrate complex of Mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III (FabH) with lauroyl-coenzyme A.
J.Mol.Biol., 346, 2005
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2PDH
 | | Human aldose reductase mutant L300P complexed with uracil-type inhibitor at 1.45 A. | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {3-[(5-CHLORO-1,3-BENZOTHIAZOL-2-YL)METHYL]-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL}ACETIC ACID | | Authors: | Steuber, H, Heine, A, Klebe, G. | | Deposit date: | 2007-03-31 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
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6ENV
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3ZSV
 | | Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design | | Descriptor: | (R)-[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium, 1,2-ETHANEDIOL, ACETIC ACID, ... | | Authors: | Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J. | | Deposit date: | 2011-07-01 | | Release date: | 2012-07-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
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5AQ8
 | | DARPin-based Crystallization Chaperones exploit Molecular Geometry as a Screening Dimension in Protein Crystallography | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, OFF7_DB12V4, THIOCYANATE ION | | Authors: | Batyuk, A, Wu, Y, Honegger, A, Heberling, M, Plueckthun, A. | | Deposit date: | 2015-09-21 | | Release date: | 2016-03-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Darpin-Based Crystallization Chaperones Exploit Molecular Geometry as a Screening Dimension in Protein Crystallography
J.Mol.Biol., 428, 2016
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4MW0
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea (Chem 1392) | | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(2-hydroxyphenyl)urea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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1KPS
 | | Structural Basis for E2-mediated SUMO conjugation revealed by a complex between ubiquitin conjugating enzyme Ubc9 and RanGAP1 | | Descriptor: | Ran-GTPase activating protein 1, SULFATE ION, Ubiquitin-like protein SUMO-1 conjugating enzyme | | Authors: | Bernier-Villamor, V, Sampson, D.A, Matunis, M.J, Lima, C.D. | | Deposit date: | 2002-01-02 | | Release date: | 2002-02-13 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for E2-mediated SUMO conjugation revealed by a complex between ubiquitin-conjugating enzyme Ubc9 and RanGAP1.
Cell(Cambridge,Mass.), 108, 2002
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6XKU
 | | R. capsulatus cyt bc1 with one FeS protein in b position and one in c position (CIII2 b-c) | | Descriptor: | Cytochrome b, Cytochrome c1, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F. | | Deposit date: | 2020-06-27 | | Release date: | 2020-12-30 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Nat Commun, 12, 2021
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1U32
 | | Crystal structure of a Protein Phosphatase-1: Calcineurin Hybrid Bound to Okadaic Acid | | Descriptor: | BETA-MERCAPTOETHANOL, MANGANESE (II) ION, OKADAIC ACID, ... | | Authors: | Maynes, J.T, Perreault, K.R, Cherney, M.M, Luu, H.A, James, M.N.G, Holmes, C.F.B. | | Deposit date: | 2004-07-20 | | Release date: | 2004-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure and Mutagenesis of a Protein Phosphatase-1:Calcineurin Hybrid Elucidate the Role of the {beta}12-{beta}13 Loop in Inhibitor Binding
J.Biol.Chem., 279, 2004
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7N3C
 | | Crystal Structure of Human Fab S24-202 in the complex with the N-terminal Domain of Nucleocapsid protein from SARS CoV-2 | | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, Nucleoprotein, ... | | Authors: | Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-05-31 | | Release date: | 2021-07-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
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7N3D
 | | Crystal Structure of Human Fab S24-1564 in the complex with the N-terminal Domain of Nucleocapsid protein from SARS CoV-2 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Nucleoprotein, ... | | Authors: | Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-05-31 | | Release date: | 2021-07-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies.
Iscience, 27, 2024
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4MXA
 | | CDPK1 from Neospora caninum in complex with inhibitor RM-1-132 | | Descriptor: | 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related | | Authors: | Merritt, E.A. | | Deposit date: | 2013-09-26 | | Release date: | 2013-10-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy.
Plos One, 9, 2014
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5IBQ
 | | Crystal structure of an ABC solute binding protein from Rhizobium etli CFN 42 (RHE_PF00037,TARGET EFI-511357) in complex with alpha-D-apiose | | Descriptor: | 3-C-(hydroxylmethyl)-alpha-D-erythrofuranose, CALCIUM ION, Probable ribose ABC transporter, ... | | Authors: | Vetting, M.W, Carter, M.S, Al Obaidi, N.F, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2016-02-22 | | Release date: | 2016-04-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal structure of an ABC solute binding protein from Rhizobium etli CFN 42 (RHE_PF00037,TARGET EFI-511357) in complex with alpha-D-apiose
To be published
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7NC4
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6ERW
 | | Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and Fasudil | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, ... | | Authors: | Mueller, J.M, Heine, A, Klebe, G. | | Deposit date: | 2017-10-19 | | Release date: | 2018-10-31 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
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2PDI
 | | Human aldose reductase mutant L300A complexed with zopolrestat at 1.55 A. | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Steuber, H, Heine, A, Klebe, G. | | Deposit date: | 2007-04-01 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features.
J.Mol.Biol., 379, 2008
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7S3D
 | | Structure of photosystem I with bound ferredoxin from Synechococcus sp. PCC 7335 acclimated to far-red light | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2Fe-2S ferredoxin-type domain-containing protein, ... | | Authors: | Gisriel, C.J, Flesher, D.A, Shen, G, Wang, J, Ho, M, Brudvig, G.W, Bryant, D.A. | | Deposit date: | 2021-09-05 | | Release date: | 2021-11-24 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Structure of a photosystem I-ferredoxin complex from a marine cyanobacterium provides insights into far-red light photoacclimation.
J.Biol.Chem., 298, 2021
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3ZN6
 | | VP16-VP17 complex, a complex of the two major capsid proteins of bacteriophage P23-77 | | Descriptor: | CHLORIDE ION, SODIUM ION, VP16, ... | | Authors: | Rissanen, I, Grimes, J.M, Pawlowski, A, Mantynen, S, Harlos, K, Bamford, J.K.H, Stuart, D.I. | | Deposit date: | 2013-02-13 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Bacteriophage P23-77 Capsid Protein Structures Reveal the Archetype of an Ancient Branch from a Major Virus Lineage.
Structure, 21, 2013
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1KGD
 | | Crystal Structure of the Guanylate Kinase-like Domain of Human CASK | | Descriptor: | FORMIC ACID, PERIPHERAL PLASMA MEMBRANE CASK | | Authors: | Li, Y, Spangenberg, O, Paarmann, I, Konrad, M, Lavie, A. | | Deposit date: | 2001-11-26 | | Release date: | 2001-12-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.314 Å) | | Cite: | Structural basis for nucleotide-dependent regulation of membrane-associated guanylate kinase-like domains.
J.Biol.Chem., 277, 2002
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