3W6P
 
 | | Crystal structure of human Dlp1 in complex with GDP.AlF4 | | Descriptor: | CALCIUM ION, Dynamin-1-like protein, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kishida, H, Sugio, S. | | Deposit date: | 2013-02-17 | | Release date: | 2014-02-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of GTPase domain fused with minimal stalks from human dynamin-1-like protein (Dlp1) in complex with several nucleotide analogues
CURR TOP PEPT PROTEIN RES., 14, 2013
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5HXC
 | | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 20 mM Na+ and zero Ca2+ | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CALCIUM ION, ... | | Authors: | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | | Deposit date: | 2016-01-30 | | Release date: | 2016-05-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger
Nat.Struct.Mol.Biol., 23, 2016
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1ORD
 | | CRYSTALLOGRAPHIC STRUCTURE OF A PLP-DEPENDENT ORNITHINE DECARBOXYLASE FROM LACTOBACILLUS 30A TO 3.1 ANGSTROMS RESOLUTION | | Descriptor: | ORNITHINE DECARBOXYLASE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Hackert, M.L, Momany, C, Ernst, S, Ghosh, R. | | Deposit date: | 1995-02-08 | | Release date: | 1995-09-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystallographic structure of a PLP-dependent ornithine decarboxylase from Lactobacillus 30a to 3.0 A resolution.
J.Mol.Biol., 252, 1995
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3WCB
 | | The complex structure of TcSQS with ligand, BPH1237 | | Descriptor: | Farnesyltransferase, putative, hydrogen [(1R)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate | | Authors: | Shang, N, Li, Q, Ko, T.P, Chan, H.C, Huang, C.H, Ren, F, Zheng, Y, Zhu, Z, Chen, C.C, Guo, R.T. | | Deposit date: | 2013-05-27 | | Release date: | 2014-06-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
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2OP5
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1P43
 | | REVERSE PROTONATION IS THE KEY TO GENERAL ACID-BASE CATALYSIS IN ENOLASE | | Descriptor: | 2-PHOSPHOGLYCERIC ACID, Enolase 1, MAGNESIUM ION | | Authors: | Sims, P.A, Larsen, T.M, Poyner, R.R, Cleland, W.W, Reed, G.H. | | Deposit date: | 2003-04-21 | | Release date: | 2003-11-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Reverse protonation is the key to general acid-base catalysis in enolase
Biochemistry, 42, 2003
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4G24
 | | Crystal Structure of proteinaceous RNase P 1 (PRORP1) from A. thaliana with Mn | | Descriptor: | 6-AMINOHEXANOIC ACID, MANGANESE (II) ION, Pentatricopeptide repeat-containing protein At2g32230, ... | | Authors: | Koutmos, M, Howard, M.J, Fierke, C.A. | | Deposit date: | 2012-07-11 | | Release date: | 2012-09-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Mitochondrial ribonuclease P structure provides insight into the evolution of catalytic strategies for precursor-tRNA 5' processing.
Proc.Natl.Acad.Sci.USA, 109, 2012
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6ANP
 | | CAT192 Fab Insertion Mutant H5/L0 | | Descriptor: | CAT192 Fab Heavy chain, CAT192 Fab Light chain | | Authors: | Lord, D.M, Wei, R.R. | | Deposit date: | 2017-08-14 | | Release date: | 2018-01-31 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure-based engineering to restore high affinity binding of an isoform-selective anti-TGF beta 1 antibody.
MAbs, 10, 2018
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5HP4
 | | Crystal structure bacteriohage T5 D15 flap endonuclease (D155K) pseudo-enzyme-product complex with DNA and metal ions | | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*AP*TP*CP*TP*AP*TP*AP*TP*GP*CP*CP*AP*TP*CP*GP*G)-3'), Exodeoxyribonuclease, ... | | Authors: | Almalki, F.A, Zhang, J, Sedelnikova, S.E, Rafferty, J.B, Sayers, J.R, Artymiuk, P.A. | | Deposit date: | 2016-01-20 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Direct observation of DNA threading in flap endonuclease complexes.
Nat.Struct.Mol.Biol., 23, 2016
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3H36
 | | Structure of an uncharacterized domain in polyribonucleotide nucleotidyltransferase from Streptococcus mutans UA159 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Polyribonucleotide nucleotidyltransferase | | Authors: | Cuff, M.E, Hatzos, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-04-15 | | Release date: | 2009-05-12 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of an uncharacterized domain in polyribonucleotide nucleotidyltransferase from Streptococcus mutans UA159
TO BE PUBLISHED
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4TVG
 | | HIV Protease (PR) dimer in closed form with pepstatin in active site and fragment AK-2097 in the outside/top of flap | | Descriptor: | 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, GLYCEROL, HIV Protease, ... | | Authors: | Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D. | | Deposit date: | 2014-06-26 | | Release date: | 2014-09-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease.
J.Phys.Chem.B, 119, 2015
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4OGV
 | | Co-Crystal Structure of MDM2 with Inhibitor Compound 49 | | Descriptor: | E3 ubiquitin-protein ligase Mdm2, [(2S,5R,6R)-4-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxomorpholin-2-yl]acetic acid | | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | | Deposit date: | 2014-01-16 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.197 Å) | | Cite: | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres.
J.Med.Chem., 57, 2014
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4OUC
 | | Structure of human haspin in complex with histone H3 substrate | | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, Histone H3.2, ... | | Authors: | Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-02-15 | | Release date: | 2014-04-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Modulation of the chromatin phosphoproteome by the haspin protein kinase.
Mol Cell Proteomics, 13, 2014
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1IXE
 | | Crystal structure of citrate synthase from Thermus thermophilus HB8 | | Descriptor: | CITRIC ACID, COENZYME A, GLYCEROL, ... | | Authors: | Murakami, M, Kanamori, E, Kawaguchi, S, Kuramitsu, S, Kouyama, T, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-06-20 | | Release date: | 2003-07-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural comparison between the open and closed forms of citrate synthase from Thermus thermophilus HB8.
Biophys Physicobio., 12, 2015
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5E2M
 | | Crystal structure of human carbonic anhydrase isozyme I with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | Descriptor: | 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, ACETATE ION, Carbonic anhydrase 1, ... | | Authors: | Manakova, E, Smirnov, A, Grazulis, S. | | Deposit date: | 2015-10-01 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
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5UZJ
 | | Crystal Structure of ROCK1 bound to an aminopyridine inhibitor | | Descriptor: | N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide, Rho-associated protein kinase 1 | | Authors: | Jacobs, M.D. | | Deposit date: | 2017-02-26 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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7Z2W
 | | Escherichia coli periplasmic phytase AppA D304A,T305E mutant, complex with myo-inositol hexakissulfate | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acidphosphatase, D-MYO-INOSITOL-HEXASULPHATE, ... | | Authors: | Acquistapace, I.M, Brearley, C.A, Hemmings, A.M. | | Deposit date: | 2022-03-01 | | Release date: | 2022-03-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Insights to the Structural Basis for the Stereospecificity of the Escherichia coli Phytase, AppA.
Int J Mol Sci, 23, 2022
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4P0I
 | | Structure of the PBP NocT | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nopaline-binding periplasmic protein | | Authors: | Vigouroux, A, Morera, S. | | Deposit date: | 2014-02-21 | | Release date: | 2014-10-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host.
Plos Pathog., 10, 2014
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7Z2T
 | | Escherichia coli periplasmic phytase AppA D304A mutant, complex with myo-inositol hexakissulfate | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acidphosphatase, D-MYO-INOSITOL-HEXASULPHATE, ... | | Authors: | Acquistapace, I.M, Brearley, C.A, Hemmings, A.M. | | Deposit date: | 2022-02-28 | | Release date: | 2022-03-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Insights to the Structural Basis for the Stereospecificity of the Escherichia coli Phytase, AppA.
Int J Mol Sci, 23, 2022
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4K2F
 | | Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A08522488 | | Descriptor: | (2S)-(4-chlorophenyl)(6-chloropyridin-2-yl)ethanenitrile, 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase PvdQ | | Authors: | Drake, E.J, Wurst, J.M, Theriault, J.R, Munoz, B, Gulick, A.M. | | Deposit date: | 2013-04-09 | | Release date: | 2014-06-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Identification of Inhibitors of PvdQ, an Enzyme Involved in the Synthesis of the Siderophore Pyoverdine.
Acs Chem.Biol., 9, 2014
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4OV6
 | | Crystal structure of PCSK9(53-451) with Adnectin | | Descriptor: | 1,2-ETHANEDIOL, Adnectin, Proprotein convertase subtilisin/kexin type 9, ... | | Authors: | Khan, J.A. | | Deposit date: | 2014-02-20 | | Release date: | 2014-07-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Pharmacologic Profile of the Adnectin BMS-962476, a Small Protein Biologic Alternative to PCSK9 Antibodies for Low-Density Lipoprotein Lowering.
J.Pharmacol.Exp.Ther., 350, 2014
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6KAB
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4QAM
 | | Crystal Structure of the RPGR RCC1-like domain in complex with the RPGR-interacting domain of RPGRIP1 | | Descriptor: | GLYCEROL, MAGNESIUM ION, X-linked retinitis pigmentosa GTPase regulator, ... | | Authors: | Remans, K, Buerger, M, Vetter, I.R, Wittinghofer, A. | | Deposit date: | 2014-05-05 | | Release date: | 2014-07-30 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | C2 domains as protein-protein interaction modules in the ciliary transition zone.
Cell Rep, 8, 2014
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3JSF
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4KCF
 | | X-ray Structure of a KijD3 in Complex with FMN and dTDP-3-amino-2,3,6-trideoxy-4-keto-3-methyl-D-glucose | | Descriptor: | FAD-dependent oxidoreductase, FLAVIN MONONUCLEOTIDE, [(2R,4S,6R)-4-azanyl-4,6-dimethyl-5,5-bis(oxidanyl)oxan-2-yl] [[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | | Authors: | Holden, H.M, Thoden, J.B, Branch, M.C, Zimmer, A.L, Bruender, N.A. | | Deposit date: | 2013-04-24 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.098 Å) | | Cite: | Active site architecture of a sugar N-oxygenase.
Biochemistry, 52, 2013
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