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3HS0
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BU of 3hs0 by Molmil
Cobra Venom Factor (CVF) in complex with human factor B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cobra venom factor, ...
Authors:Janssen, B.J.C, Gomes, L, Koning, R.I, Svergun, D.I, Koster, A.J, Fritzinger, D.C, Vogel, C.-W, Gros, P.
Deposit date:2009-06-10
Release date:2009-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Insights into complement convertase formation based on the structure of the factor B-cobra venom factor complex
Embo J., 28, 2009
2ZNT
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BU of 2znt by Molmil
Crystal structure of the ligand-binding core of the human ionotropic glutamate receptor, GluR5, in complex with a novel selective agonist, dysiherbaine
Descriptor: (2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, BETA-MERCAPTOETHANOL, Glutamate receptor, ...
Authors:Unno, M, Sasaki, M, Ikeda-Saito, M.
Deposit date:2008-05-01
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Binding and Selectivity of the Marine Toxin Neodysiherbaine A and Its Synthetic Analogues to GluK1 and GluK2 Kainate Receptors.
J.Mol.Biol., 413, 2011
3HZX
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BU of 3hzx by Molmil
Crystal Structure of Staphylococcal nuclease variant D+PHS/V66K at pH 9 determined at 100 K
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Schlessman, J.L, De Luca-Westrate, J.N, Garcia-Moreno, B.E.
Deposit date:2009-06-24
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Staphylococcal nuclease D+PHS/V66K reveals internal hydration in protein cavity
To be Published
2ZF0
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BU of 2zf0 by Molmil
Exploring Thrombin S1 Pocket
Descriptor: D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ...
Authors:Baum, B, Heine, A, Klebe, G.
Deposit date:2007-12-18
Release date:2008-11-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Exploring Thrombin S1 pocket
To be Published
2ZPX
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BU of 2zpx by Molmil
TNF Receptor Subtype One-selective TNF Mutant with Antagonistic Activity; R1antTNF-T8
Descriptor: Tumor necrosis factor
Authors:Mukai, Y, Nakamura, T, Yamagata, Y, Tsutsumi, Y.
Deposit date:2008-07-29
Release date:2009-03-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Fast binding kinetics and conserved 3D structure underlie the antagonistic activity of mutant TNF: useful information for designing artificial proteo-antagonists
J.Biochem., 146, 2009
2WYE
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BU of 2wye by Molmil
The quorum quenching N-acyl homoserine lactone acylase PvdQ is an Ntn- Hydrolase with an unusual substrate-binding pocket
Descriptor: ACYL-HOMOSERINE LACTONE ACYLASE PVDQ SUBUNIT ALPHA, ACYL-HOMOSERINE LACTONE ACYLASE PVDQ SUBUNIT BETA, GLYCEROL
Authors:Bokhove, M, Nadal Jimenez, P, Quax, W.J, Dijkstra, B.W.
Deposit date:2009-11-16
Release date:2009-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Quorum-Quenching N-Acyl Homoserine Lactone Acylase Pvdq is an Ntn-Hydrolase with an Unusual Substrate-Binding Pocket
Proc.Natl.Acad.Sci.USA, 107, 2010
2ZGC
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BU of 2zgc by Molmil
Crystal Structure of Active Human Granzyme M
Descriptor: Granzyme M, SULFATE ION
Authors:Wu, L.F, Wang, L, Hua, G.Q, Liu, K, Zhai, Y.J, Sun, F, Fan, Z.S.
Deposit date:2008-01-21
Release date:2009-01-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural basis for proteolytic specificity of the human apoptosis-inducing granzyme M
J.Immunol., 183, 2009
2X1D
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BU of 2x1d by Molmil
The crystal structure of mature acyl coenzyme A:isopenicillin N acyltransferase from Penicillium chrysogenum
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, ACETATE ION, ACYL-COENZYME, ...
Authors:Bokhove, M, Yoshida, H, Hensgens, C.M.H, van der Laan, J.M, Sutherland, J.D, Dijkstra, B.W.
Deposit date:2009-12-23
Release date:2010-03-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structures of an Isopenicillin N Converting Ntn-Hydrolase Reveal Different Catalytic Roles for the Active Site Residues of Precursor and Mature Enzyme.
Structure, 18, 2010
2ZHD
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BU of 2zhd by Molmil
Exploring trypsin S3 pocket
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Brandt, T, Baum, B, Heine, A, Klebe, G.
Deposit date:2008-02-04
Release date:2009-02-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties
J.Mol.Biol., 405, 2011
3KUZ
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BU of 3kuz by Molmil
Crystal structure of the ubiquitin like domain of PLXNC1
Descriptor: Plexin-C1, UNKNOWN ATOM OR ION
Authors:Wang, H, Li, B, Tempel, W, Tong, Y, Guan, X, Zhong, N, Crombet, L, MacKenzie, F, Buck, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-11-28
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the ubiquitin like domain of PLXNC1
to be published
2ZLW
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BU of 2zlw by Molmil
Horse methemoglobin high salt, pH 7.0 (75% relative humidity)
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kaushal, P.S, Sankaranarayanan, R, Vijayan, M.
Deposit date:2008-04-10
Release date:2008-06-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Water-mediated variability in the structure of relaxed-state haemoglobin
Acta Crystallogr.,Sect.F, 64, 2008
3L1G
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BU of 3l1g by Molmil
Human AlphaB crystallin
Descriptor: Alpha-crystallin B chain, SULFATE ION
Authors:Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2009-12-11
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Crystal structures of truncated alphaA and alphaB crystallins reveal structural mechanisms of polydispersity important for eye lens function.
Protein Sci., 19, 2010
3KX1
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BU of 3kx1 by Molmil
Cathepsin K in complex with a selective 2-cyano-pyrimidine inhibitor
Descriptor: 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION
Authors:Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
Deposit date:2009-12-02
Release date:2010-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
2Z8C
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BU of 2z8c by Molmil
Phosphorylated insulin receptor tyrosine kinase in complex with (4-{[5-carbamoyl-4-(3-methylanilino)pyrimidin-2-yl]amino}phenyl)acetic acid
Descriptor: 6-mer peptide from Insulin receptor substrate 1, Insulin receptor, [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID
Authors:Katayama, N, Kurihara, H.
Deposit date:2007-09-05
Release date:2008-08-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Identification of a key element for hydrogen-bonding patterns between protein kinases and their inhibitors.
Proteins, 73, 2008
2V8B
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BU of 2v8b by Molmil
SAD Structure solution of Proteinase K grown in selenate solution
Descriptor: CALCIUM ION, PROTEINASE K, SELENATE ION
Authors:Jakoncic, J, Stojanoff, V.
Deposit date:2007-08-06
Release date:2008-08-26
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Selenate Substitution: Application in Protein Crystallography
To be Published
2ZQ1
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BU of 2zq1 by Molmil
Exploring trypsin S3 pocket
Descriptor: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ...
Authors:Brandt, T, Baum, B, Heine, A, Klebe, G.
Deposit date:2008-08-03
Release date:2009-08-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties
J.Mol.Biol., 405, 2011
3B2Z
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BU of 3b2z by Molmil
Crystal Structure of ADAMTS4 (apo form)
Descriptor: ADAMTS-4, CALCIUM ION, ZINC ION
Authors:Mosyak, L, Stahl, M, Somers, W.
Deposit date:2007-10-19
Release date:2007-12-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5.
Protein Sci., 17, 2008
2VAZ
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BU of 2vaz by Molmil
Model of the S15-mRNA complex fitted into the cryo-EM map of the 70S entrapment complex.
Descriptor: 30S RIBOSOMAL PROTEIN S15, RPSO MRNA OPERATOR
Authors:Marzi, S, Myasnikov, A.G, Serganov, A, Ehresmann, C, Romby, P, Yusupov, M, Klaholz, B.P.
Deposit date:2007-09-05
Release date:2007-10-02
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (10 Å)
Cite:Structured Mrnas Regulate Translation Initiation by Binding to the Platform of the Ribosome.
Cell(Cambridge,Mass.), 130, 2007
3BA7
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BU of 3ba7 by Molmil
Crystal structure of L26N/D28A mutant of Human acidic fibroblast growth factor
Descriptor: FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION
Authors:Blaber, M, Lee, J.
Deposit date:2007-11-07
Release date:2008-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A logical OR redundancy within the Asx-Pro-Asx-Gly type I beta-turn motif.
J.Mol.Biol., 377, 2008
3BHB
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BU of 3bhb by Molmil
Crystal Structure of KMD Phosphopeptide Bound to Human Class I MHC HLA-A2
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Mohammed, F, Cobbold, M, Zarling, A.L, Salim, M, Barrett-Wilt, G.A, Shabanowitz, J, Hunt, D.F, Engelhard, V.H, Willcox, B.E.
Deposit date:2007-11-28
Release date:2008-10-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Phosphorylation-dependent interaction between antigenic peptides and MHC class I: a molecular basis for the presentation of transformed self
Nat.Immunol., 9, 2008
2VIY
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BU of 2viy by Molmil
Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(pentylsulfonyl)benzamide
Descriptor: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide
Authors:Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
Deposit date:2007-12-06
Release date:2008-01-29
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Bace-1 Inhibitors Part 1: Identification of Novel Hydroxy Ethylamines (Heas).
Bioorg.Med.Chem.Lett., 18, 2008
2V36
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BU of 2v36 by Molmil
Crystal structure of gamma-glutamyl transferase from Bacillus subtilis
Descriptor: GAMMA-GLUTAMYLTRANSPEPTIDASE LARGE CHAIN, GAMMA-GLUTAMYLTRANSPEPTIDASE SMALL CHAIN
Authors:Sharath, B, Prabhune, A.A, Suresh, C.G, Wilkinson, A.J, Brannigan, J.A.
Deposit date:2007-06-13
Release date:2008-07-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Gamma-Glutamyl Transferase
To be Published
3LT3
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BU of 3lt3 by Molmil
Crystal structure of Rv3671c from M. tuberculosis H37Rv, Ser343Ala mutant, inactive form
Descriptor: POSSIBLE MEMBRANE-ASSOCIATED SERINE PROTEASE
Authors:Biswas, T, Small, J, Vandal, O, Ehrt, S, Tsodikov, O.V.
Deposit date:2010-02-14
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insight into serine protease Rv3671c that Protects M. tuberculosis from oxidative and acidic stress.
Structure, 18, 2010
3BIY
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BU of 3biy by Molmil
Crystal structure of p300 histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA
Descriptor: BROMIDE ION, Histone acetyltransferase p300, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate
Authors:Liu, X, Wang, L, Zhao, K, Thompson, P.R, Hwang, Y, Marmorstein, R, Cole, P.A.
Deposit date:2007-12-02
Release date:2008-02-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structural basis of protein acetylation by the p300/CBP transcriptional coactivator
Nature, 451, 2008
2VKM
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BU of 2vkm by Molmil
Crystal structure of GRL-8234 bound to BACE (Beta-secretase)
Descriptor: BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
Authors:Hong, L, Tang, J, Ghosh, A.K.
Deposit date:2007-12-04
Release date:2008-12-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Potent Memapsin 2 (Beta-Secretase) Inhibitors: Design, Synthesis, Protein-Ligand X-Ray Structure, and in Vivo Evaluation.
Bioorg.Med.Chem.Lett., 18, 2008

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