1B2X
 
 | | BARNASE WILDTYPE STRUCTURE AT PH 7.5 FROM A CRYO_COOLED CRYSTAL AT 100K | | Descriptor: | PROTEIN (BARNASE), ZINC ION | | Authors: | Harrison, P, Vaughan, C.K, Buckle, A.M, Fersht, A.R. | | Deposit date: | 1998-12-03 | | Release date: | 1998-12-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A structural double-mutant cycle: estimating the strength of a buried salt bridge in barnase.
Acta Crystallogr.,Sect.D, 58, 2002
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2QAF
 | | Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase covalently modified by 6-iodo-UMP | | Descriptor: | Orotidine 5' monophosphate decarboxylase, SULFATE ION, URIDINE-5'-MONOPHOSPHATE | | Authors: | Liu, Y, Lau, W, Bello, A.M, Kotra, L.P, Hui, R, Pai, E.F. | | Deposit date: | 2007-06-15 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-activity relationships of C6-uridine derivatives targeting plasmodia orotidine monophosphate decarboxylase
J.Med.Chem., 51, 2008
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7XWO
 | | Neurokinin A bound to active human neurokinin 2 receptor in complex with G324 | | Descriptor: | G324, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Sun, W.J, Yuan, Q.N, Zhang, H.H, Yang, F, Ling, S.L, Lv, P, Eric, X, Tian, C.L, Yin, W.C, Shi, P. | | Deposit date: | 2022-05-26 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural insights into the activation of neurokinin 2 receptor by neurokinin A.
Cell Discov, 8, 2022
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4BWB
 | | Structure of Evolved Agonist-bound Neurotensin Receptor 1 Mutant without Lysozyme Fusion | | Descriptor: | NEUROTENSIN, NEUROTENSIN RECEPTOR TYPE 1 | | Authors: | Egloff, P, Hillenbrand, M, Scott, D.J, Schlinkmann, K.M, Heine, P, Balada, S, Batyuk, A, Mittl, P, Plueckthun, A. | | Deposit date: | 2013-07-01 | | Release date: | 2014-01-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.57 Å) | | Cite: | Structure of Signaling-Competent Neurotensin Receptor 1 Obtained by Directed Evolution in Escherichia Coli
Proc.Natl.Acad.Sci.USA, 111, 2014
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4TT2
 | | Crystal structure of ATAD2A bromodomain complexed with H4(1-20)K5Ac peptide | | Descriptor: | ATPase family AAA domain-containing protein 2, Histone H4K5Ac | | Authors: | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | | Deposit date: | 2014-06-19 | | Release date: | 2014-12-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
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4TN3
 | | Structure of the BBox-Coiled-coil region of Rhesus Trim5alpha | | Descriptor: | TRIM5/cyclophilin A fusion protein/T4 Lysozyme chimera, ZINC ION | | Authors: | Kirkpatrick, J.J, Stoye, J.P, Taylor, I.A, Goldstone, D.C. | | Deposit date: | 2014-06-03 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.1989 Å) | | Cite: | Structural studies of postentry restriction factors reveal antiparallel dimers that enable avid binding to the HIV-1 capsid lattice.
Proc.Natl.Acad.Sci.USA, 111, 2014
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2FCC
 | | Crystal Structure of T4 Pyrimidine Dimer Glycosylase (T4-Pdg) Covalently Complexed with a DNA Substrate Containing Abasic Site | | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*GP*AP*(PED)P*GP*AP*AP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*(BRU)P*(BRU)P*CP*AP*(BRU)P*CP*CP*(BRU)P*GP*G)-3'), Endonuclease V, ... | | Authors: | Golan, G, Zharkov, D.O, Fernandes, A.S, Dodson, M.L, McCullough, A.K, Grollman, A.P, Lloyd, R.S, Shoham, G. | | Deposit date: | 2005-12-12 | | Release date: | 2006-10-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of T4 Pyrimidine Dimer Glycosylase in a Reduced Imine Covalent Complex with Abasic Site-containing DNA.
J.Mol.Biol., 362, 2006
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4NYA
 | | Crystal structure of the E. coli thiM riboswitch in complex with 5-(azidomethyl)-2-methylpyrimidin-4-amine | | Descriptor: | 5-(azidomethyl)-2-methylpyrimidin-4-amine, MAGNESIUM ION, thiM TPP riboswitch | | Authors: | Warner, K.D, Homan, P, Weeks, K.M, Smith, A.G, Abell, C, Ferre-D'Amare, A.R. | | Deposit date: | 2013-12-10 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Validating Fragment-Based Drug Discovery for Biological RNAs: Lead Fragments Bind and Remodel the TPP Riboswitch Specifically.
Chem.Biol., 21, 2014
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4TR2
 | | Crystal structure of PvSUB1 | | Descriptor: | CALCIUM ION, PHOSPHATE ION, Subtilisin-like 1 serine protease | | Authors: | Giganti, D, Bouillon, A, Martinez, M, Weber, P, Girard-Blanc, C, Petres, S, Haouz, A, Barale, J.C, Alzari, P.M. | | Deposit date: | 2014-06-13 | | Release date: | 2014-09-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A novel Plasmodium-specific prodomain fold regulates the malaria drug target SUB1 subtilase.
Nat Commun, 5, 2014
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3L45
 | | A Joint Neutron and X-ray structure of Oxidized Amicyanin | | Descriptor: | Amicyanin, COPPER (II) ION | | Authors: | Sukumar, N, Mathews, F.S, Langan, P, Davidson, V.L. | | Deposit date: | 2009-12-18 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-13 | | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | | Cite: | A joint x-ray and neutron study on amicyanin reveals the role of protein dynamics in electron transfer.
Proc.Natl.Acad.Sci.USA, 107, 2010
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5R83
 | | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z44592329 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-phenyl-N'-pyridin-3-ylurea | | Authors: | Fearon, D, Powell, A.J, Douangamath, A, Owen, C.D, Wild, C, Krojer, T, Lukacik, P, Strain-Damerell, C.M, Walsh, M.A, von Delft, F. | | Deposit date: | 2020-03-03 | | Release date: | 2020-03-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
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1QBS
 | | HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY | | Descriptor: | HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE | | Authors: | Ala, P, Chang, C.-H. | | Deposit date: | 1997-04-25 | | Release date: | 1997-10-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cyclic HIV protease inhibitors: synthesis, conformational analysis, P2/P2' structure-activity relationship, and molecular recognition of cyclic ureas.
J.Med.Chem., 39, 1996
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3CVB
 | | Regulation of Protein Function: Crystal Packing Interfaces and Conformational Dimerization | | Descriptor: | COPPER (I) ION, Plastocyanin | | Authors: | Crowley, P.B, Matias, P.M, Mi, H, Firbank, S.J, Banfield, M.J, Dennison, C. | | Deposit date: | 2008-04-18 | | Release date: | 2008-07-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Regulation of protein function: crystal packing interfaces and conformational dimerization.
Biochemistry, 47, 2008
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4FAL
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-methylbenzamide (80) | | Descriptor: | 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide, Aldo-keto reductase family 1 member C3, ... | | Authors: | Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. | | Deposit date: | 2012-05-22 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3
J.Med.Chem., 55, 2012
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1JNJ
 | | NMR solution structure of the human beta2-microglobulin | | Descriptor: | beta2-microglobulin | | Authors: | Verdone, G, Corazza, A, Viglino, P, Pettirossi, F, Giorgetti, S, Mangione, P, Andreola, A, Stoppini, M, Bellotti, V, Esposito, G. | | Deposit date: | 2001-07-24 | | Release date: | 2002-02-27 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The solution structure of human beta2-microglobulin reveals the prodromes of its amyloid transition.
Protein Sci., 11, 2002
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4RWN
 | | Crystal structure of the pre-reactive state of porcine OAS1 | | Descriptor: | 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | | Authors: | Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. | | Deposit date: | 2014-12-05 | | Release date: | 2015-05-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity.
Structure, 23, 2015
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1W6S
 | | The high resolution structure of methanol dehydrogenase from methylobacterium extorquens | | Descriptor: | CALCIUM ION, GLYCEROL, METHANOL DEHYDROGENASE SUBUNIT 1, ... | | Authors: | Williams, P.A, Coates, L, Mohammed, F, Gill, R, Erskine, P.T, Wood, S.P, Anthony, C, Cooper, J.B. | | Deposit date: | 2004-08-23 | | Release date: | 2004-12-21 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The Atomic Resolution Structure of Methanol Dehydrogenase from Methylobacterium Extorquens
Acta Crystallogr.,Sect.D, 61, 2005
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2OK9
 | | PrTX-I-BPB | | Descriptor: | ISOPROPYL ALCOHOL, Phospholipase A2 homolog 1, p-Bromophenacyl bromide | | Authors: | Marchi-Salvador, D.P, Fernandes, C.A.H, Soares, A.M, Fontes, M.R. | | Deposit date: | 2007-01-16 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal structure of a phospholipase A(2) homolog complexed with p-bromophenacyl bromide reveals important structural changes associated with the inhibition of myotoxic activity.
Biochim.Biophys.Acta, 1794, 2009
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4RYL
 | | Human Protein Arginine Methyltransferase 3 in complex with 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea | | Descriptor: | 1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea, PRMT3 protein, UNKNOWN ATOM OR ION | | Authors: | Dong, A, Dobrovetsky, E, Kaniskan, H.U, Szewczyk, M, Yu, Z, Eram, M.S, Yang, X, Schmidt, K, Luo, X, Dai, M, He, F, Zang, I, Lin, Y, Kennedy, S, Li, F, Tempel, W, Smil, D, Min, S.J, Landon, M, Lin-Jones, J, Huang, X.P, Roth, B.L, Schapira, M, Atadja, P, Barsyte-Lovejoy, D, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Zhao, K, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-12-15 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Potent, Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 3 (PRMT3).
Angew.Chem.Int.Ed.Engl., 54, 2015
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3LJ2
 | | IRE1 complexed with JAK Inhibitor I | | Descriptor: | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Lee, K.P.K, Sicheri, F. | | Deposit date: | 2010-01-25 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.33 Å) | | Cite: | Flavonol activation defines an unanticipated ligand-binding site in the kinase-RNase domain of IRE1.
Mol.Cell, 38, 2010
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1E36
 | | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL -3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE | | Descriptor: | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | | Authors: | Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | | Deposit date: | 2000-06-06 | | Release date: | 2000-10-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes
Biochem.J., 351, 2000
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1JXJ
 | | Role of mobile loop in the mechanism of human salivary amylase | | Descriptor: | Alpha-amylase, salivary, CALCIUM ION, ... | | Authors: | Ramasubbu, N, Ragunath, C, Wang, Z, Mishra, P.J, Thomas, L.M. | | Deposit date: | 2001-09-07 | | Release date: | 2001-09-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Human salivary alpha-amylase Trp58 situated at subsite -2 is critical for enzyme activity.
Eur.J.Biochem., 271, 2004
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4O2X
 | | Structure of a malarial protein | | Descriptor: | Maltose-binding periplasmic protein, ATP-dependent Clp protease adaptor protein ClpS containing protein chimeric construct | | Authors: | AhYoung, A.P, Koehl, A, Cascio, D, Egea, P.F. | | Deposit date: | 2013-12-17 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of a putative ClpS N-end rule adaptor protein from the malaria pathogen Plasmodium falciparum.
Protein Sci., 25, 2016
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1Z42
 | | Crystal structure of oxidized YqjM from Bacillus subtilis complexed with p-hydroxybenzaldehyde | | Descriptor: | FLAVIN MONONUCLEOTIDE, P-HYDROXYBENZALDEHYDE, Probable NADH-dependent flavin oxidoreductase yqjM, ... | | Authors: | Kitzing, K, Fitzpatrick, T.B, Wilken, C, Sawa, J, Bourenkov, G.P, Macheroux, P, Clausen, T. | | Deposit date: | 2005-03-15 | | Release date: | 2005-05-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The 1.3 A Crystal Structure of the Flavoprotein YqjM Reveals a Novel Class of Old Yellow Enzymes
J.Biol.Chem., 280, 2005
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2OIY
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