2WYJ
 
 | | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs | | Descriptor: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN | | Authors: | Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J. | | Deposit date: | 2009-11-16 | | Release date: | 2010-12-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs
Bioorg.Med.Chem.Lett., 20, 2010
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6DDQ
 | | Crystal structure of the double mutant (R39Q/D52N) of the full-length NT5C2 in the basal state | | Descriptor: | 1,2-ETHANEDIOL, Cytosolic purine 5'-nucleotidase, PHOSPHATE ION | | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | | Deposit date: | 2018-05-10 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
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5FBK
 | | Crystal structure of the extracellular domain of human calcium sensing receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHLORIDE ION, ... | | Authors: | Zhang, T, Zhang, C, Miller, C.L, Zou, J, Moremen, K.W, Brown, E.M, Yang, J.J, Hu, J. | | Deposit date: | 2015-12-14 | | Release date: | 2016-06-22 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for regulation of human calcium-sensing receptor by magnesium ions and an unexpected tryptophan derivative co-agonist.
Sci Adv, 2, 2016
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2VJF
 | | Crystal Structure of the MDM2-MDMX RING Domain Heterodimer | | Descriptor: | CITRATE ANION, E3 UBIQUITIN-PROTEIN LIGASE MDM2, MDM4 PROTEIN, ... | | Authors: | Mace, P.D, Linke, K, Smith, C.A, Day, C.L. | | Deposit date: | 2007-12-10 | | Release date: | 2008-05-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Mdm2/Mdmx Ring Domain Heterodimer Reveals Dimerization is Required for Their Ubiquitylation in Trans.
Cell Death Differ., 15, 2008
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6DBA
 | | Crystal Structure of VHH R303 | | Descriptor: | nanobody VHH R303 | | Authors: | Brooks, C.L, Toride King, M, Huh, I. | | Deposit date: | 2018-05-02 | | Release date: | 2018-07-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural basis of VHH-mediated neutralization of the food-borne pathogenListeria monocytogenes.
J. Biol. Chem., 293, 2018
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6DCH
 | | Structure of isonitrile biosynthesis enzyme ScoE | | Descriptor: | ACETATE ION, CHLORIDE ION, CHOLINE ION, ... | | Authors: | Born, D.A, Drennan, C.L. | | Deposit date: | 2018-05-07 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Isonitrile Formation by a Non-Heme Iron(II)-Dependent Oxidase/Decarboxylase.
Angew. Chem. Int. Ed. Engl., 57, 2018
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4JYA
 | | Crystal structures of pseudouridinilated stop codons with ASLs | | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Fernandez, I.S, Ng, C.L, Kelley, A.C, Guowei, W, Yu, Y.T, Ramakrishnan, V. | | Deposit date: | 2013-03-29 | | Release date: | 2013-06-26 | | Last modified: | 2013-08-21 | | Method: | X-RAY DIFFRACTION (3.098 Å) | | Cite: | Unusual base pairing during the decoding of a stop codon by the ribosome.
Nature, 500, 2013
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4JV5
 | | Crystal structures of pseudouridinilated stop codons with ASLs | | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein 20, 30S ribosomal protein S10, ... | | Authors: | Fernandez, I.S, Ng, C.L, Kelley, A.C, Guowei, W, Yu, Y.T, Ramakrishnan, V. | | Deposit date: | 2013-03-25 | | Release date: | 2013-06-26 | | Last modified: | 2013-08-21 | | Method: | X-RAY DIFFRACTION (3.162 Å) | | Cite: | Unusual base pairing during the decoding of a stop codon by the ribosome.
Nature, 500, 2013
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2V2E
 | | Structure of isoniazid (INH) bound to cytochrome c peroxidase mutant N184R Y36A | | Descriptor: | 4-(DIAZENYLCARBONYL)PYRIDINE, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Metcalfe, C.L, Macdonald, I.K, Brown, K.A, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2007-06-05 | | Release date: | 2007-12-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | The Tuberculosis Prodrug Isoniazid Bound to Activating Peroxidases.
J.Biol.Chem., 283, 2008
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2VBG
 | | The complex structure of the branched-chain keto acid decarboxylase (KdcA) from Lactococcus lactis with 2R-1-hydroxyethyl-deazaThDP | | Descriptor: | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE, BRANCHED-CHAIN ALPHA-KETOACID DECARBOXYLASE, MAGNESIUM ION | | Authors: | Berthold, C.L, Gocke, D, Wood, M.D, Leeper, F, Pohl, M, Schneider, G. | | Deposit date: | 2007-09-12 | | Release date: | 2007-11-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the Branched-Chain Keto Acid Decarboxylase (Kdca) from Lactococcus Lactis Provides Insights Into the Structural Basis for the Chemo- and Enantioselective Carboligation Reaction
Acta Crystallogr.,Sect.D, 63, 2007
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2UWL
 | | Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa | | Descriptor: | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, COAGULATION FACTOR X | | Authors: | Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P. | | Deposit date: | 2007-03-22 | | Release date: | 2007-04-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa.
Bioorg.Med.Chem.Lett., 17, 2007
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4JYY
 | | Crystal structure of the azide and iron substituted Clostrium difficile SOD2 complex | | Descriptor: | AZIDE ION, FE (III) ION, Superoxide dismutase | | Authors: | Li, W, Ying, T.L, Wang, C.L, Zhao, Y, Wang, H.F, Tan, X.S. | | Deposit date: | 2013-04-01 | | Release date: | 2014-04-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Crystal structure of the azide and iron substituted Clostrium difficile SOD2 complex
To be Published
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4K0K
 | | Crystal structure of the Thermus thermophilus 30S ribosomal subunit complexed with a serine-ASL and mRNA containing a stop codon | | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | | Authors: | Fernandez, I.S, Ng, C.L, Kelley, A.C, Guowei, W, Yu, Y.T, Ramakrishnan, V. | | Deposit date: | 2013-04-04 | | Release date: | 2013-06-26 | | Last modified: | 2013-08-21 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Unusual base pairing during the decoding of a stop codon by the ribosome.
Nature, 500, 2013
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2VCN
 | | Structure of isoniazid (INH) bound to cytosolic soybean ascorbate peroxidase mutant W41A | | Descriptor: | 4-(DIAZENYLCARBONYL)PYRIDINE, ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Metcalfe, C.L, Macdonald, I.K, Brown, K.A, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2007-09-25 | | Release date: | 2007-12-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The Tuberculosis Prodrug Isoniazid Bound to Activating Peroxidases.
J.Biol.Chem., 283, 2008
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4K38
 | | Native anSMEcpe with bound AdoMet and Kp18Cys peptide | | Descriptor: | Anaerobic sulfatase-maturating enzyme, CHLORIDE ION, GLYCEROL, ... | | Authors: | Goldman, P.J, Drennan, C.L. | | Deposit date: | 2013-04-10 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.831 Å) | | Cite: | X-ray structure of an AdoMet radical activase reveals an anaerobic solution for formylglycine posttranslational modification.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4K7A
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2VJK
 | | Formyl-CoA transferase with aspartyl-CoA thioester intermediate derived from oxalyl-CoA | | Descriptor: | CHLORIDE ION, COENZYME A, FORMYL-COENZYME A TRANSFERASE, ... | | Authors: | Berthold, C.L, Toyota, C.G, Richards, N.G.J, Lindqvist, Y. | | Deposit date: | 2007-12-11 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Reinvestigation of the Catalytic Mechanism of Formyl-Coa Transferase, a Class III Coa-Transferase.
J.Biol.Chem., 283, 2008
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2VJP
 | | Formyl-CoA transferase mutant variant W48F | | Descriptor: | FORMYL-COENZYME A TRANSFERASE, SODIUM ION | | Authors: | Toyota, C.G, Berthold, C.L, Gruez, A, Jonsson, S, Lindqvist, Y, Cambillau, C, Richards, N.G.J. | | Deposit date: | 2007-12-11 | | Release date: | 2008-01-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Differential Substrate Specificity and Kinetic Behavior of Escherichia Coli Yfdw and Oxalobacter Formigenes Formyl Coenzyme a Transferase.
J.Bacteriol., 190, 2008
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4JZG
 | | Crystal structure of a single cambialistic SOD2 occupied by Manganese ion from Clostridium difficile | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase | | Authors: | Li, W, Wang, C.L, Zhao, Y, Wang, H.F, Tan, S.X. | | Deposit date: | 2013-04-02 | | Release date: | 2014-04-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.321 Å) | | Cite: | Crystal structure of a single cambialistic SOD2 occupied by Manganese ion from Clostridium difficile
To be Published
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5FH8
 | | Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28 | | Descriptor: | 1,2-ETHANEDIOL, 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one, DIMETHYL SULFOXIDE, ... | | Authors: | Tallant, C, Sutherell, C.L, Siejka, P, Sorrell, F.J, Krojer, T, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S. | | Deposit date: | 2015-12-21 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
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5FAY
 | | Y208F mutant of choline TMA-lyase | | Descriptor: | CHOLINE ION, Choline trimethylamine-lyase, MALONATE ION, ... | | Authors: | Funk, M.A, Drennan, C.L. | | Deposit date: | 2015-12-12 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase.
Cell Chem Biol, 23, 2016
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4H5B
 | | Crystal Structure of DR_1245 from Deinococcus radiodurans | | Descriptor: | BROMIDE ION, DR_1245 protein, GLYCEROL, ... | | Authors: | Norais, C, Servant, P, Bouthier-de-la-Tour, C, Coureux, P.D, Ithurbide, S, Vannier, F, Guerin, P, Dulberger, C.L, Satyshur, K.A, Keck, J.L, Armengaud, J, Cox, M.M, Sommer, S. | | Deposit date: | 2012-09-18 | | Release date: | 2013-01-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Deinococcus radiodurans DR1245 Protein, a DdrB Partner Homologous to YbjN Proteins and Reminiscent of Type III Secretion System Chaperones.
Plos One, 8, 2013
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5G2X
 | | Structure a of Group II Intron Complexed with its Reverse Transcriptase | | Descriptor: | 5'-R(*CP*AP*CP*AP*UP*CP*CP*AP*UP*AP*AP*CP)-3', GROUP II INTRON, GROUP II INTRON-ENCODED PROTEIN LTRA | | Authors: | Qu, G, Kaushal, P.S, Wang, J, Shigematsu, H, Piazza, C.L, Agrawal, R.K, Belfort, M, Wang, H.W. | | Deposit date: | 2016-04-16 | | Release date: | 2016-05-11 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of a Group II Intron in Complex with its Reverse Transcriptase.
Nat.Struct.Mol.Biol., 23, 2016
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4JZ2
 | | Crystal structure of Co ion substituted SOD2 from Clostridium difficile | | Descriptor: | COBALT (II) ION, Superoxide dismutase | | Authors: | Li, W, Ying, T.L, Wang, C.L, Zhao, Y, Wang, H.F, Tan, X.S. | | Deposit date: | 2013-04-02 | | Release date: | 2014-04-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of Co ion substituted SOD2 from Clostridium difficile
To be Published
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4I3Z
 | | Structure of pCDK2/CyclinA bound to ADP and 2 Magnesium ions | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Cyclin-A2, ... | | Authors: | Jacobsen, D.M, Bao, Z.-Q, O'Brien, P.J, Brooks, C.L, Young, M.A. | | Deposit date: | 2012-11-27 | | Release date: | 2012-12-26 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Price To Be Paid for Two-Metal Catalysis: Magnesium Ions That Accelerate Chemistry Unavoidably Limit Product Release from a Protein Kinase
J.Am.Chem.Soc., 134, 2012
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