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3E0N
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The X-ray structure of Human Prostasin in complex with DFFR-chloromethyl ketone inhibitor
Descriptor: DPN-PHE-ARM, GLYCEROL, Prostasin heavy chain, ...
Authors:Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
Deposit date:2008-07-31
Release date:2009-06-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
2VQW
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BU of 2vqw by Molmil
Structure of inhibitor-free HDAC4 catalytic domain (with gain-of- function mutation His332Tyr)
Descriptor: HISTONE DEACETYLASE 4, POTASSIUM ION, ZINC ION
Authors:Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A.
Deposit date:2008-03-19
Release date:2008-08-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Structural Zinc-Binding Domain.
J.Biol.Chem., 283, 2008
3B4M
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Crystal Structure of Human PABPN1 RRM
Descriptor: Polyadenylate-binding protein 2
Authors:Ge, H, Zhou, D, Teng, M, Niu, L.
Deposit date:2007-10-24
Release date:2008-01-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Crystal structure and possible dimerization of the single RRM of human PABPN1
Proteins, 71, 2008
2VQM
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Structure of HDAC4 catalytic domain bound to a hydroxamic acid inhbitor
Descriptor: HISTONE DEACETYLASE 4, N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide, POTASSIUM ION, ...
Authors:Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A.
Deposit date:2008-03-17
Release date:2008-07-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain.
J.Biol.Chem., 283, 2008
3B2Z
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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
3B68
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Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-4
Descriptor: (2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-27
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
2W9F
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Crystal Structure of CDK4 in complex with a D-type cyclin
Descriptor: CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1
Authors:Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H.
Deposit date:2009-01-23
Release date:2009-03-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin.
Proc.Natl.Acad.Sci.USA, 106, 2009
2VX0
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ephB4 kinase domain inhibitor complex
Descriptor: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE
Authors:Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G.
Deposit date:2008-06-30
Release date:2008-10-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
3BA7
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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
2VUF
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Human serum albumin complexed with fusidic acid
Descriptor: FUSIDIC ACID, SERUM ALBUMIN
Authors:Zunszain, P.A, Ghuman, J, Curry, S.
Deposit date:2008-05-24
Release date:2008-06-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystallographic Analysis of Human Serum Albumin Complexed with 4Z,15E-Bilirubin-Ixalpha.
J.Mol.Biol., 381, 2008
2VQQ
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Structure of HDAC4 catalytic domain (a double cysteine-to-alanine mutant) bound to a trifluoromethylketone inhbitor
Descriptor: 2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL, HISTONE DEACETYLASE 4, POTASSIUM ION, ...
Authors:Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A.
Deposit date:2008-03-18
Release date:2008-07-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Zinc-Binding Domain.
J.Biol.Chem., 283, 2008
3DZ7
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Human AdoMetDC with 5'-[(carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine
Descriptor: 1,4-DIAMINOBUTANE, 2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide, S-adenosylmethionine decarboxylase alpha chain, ...
Authors:Bale, S, McCloskey, D.E, Pegg, A.E, Secrist III, J.A, Guida, W.C, Ealick, S.E.
Deposit date:2008-07-29
Release date:2009-03-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:New Insights into the Design of Inhibitors of Human S-Adenosylmethionine Decarboxylase: Studies of Adenine C8 Substitution in Structural Analogues of S-Adenosylmethionine
J.Med.Chem., 52, 2009
2VST
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hPPARgamma Ligand binding domain in complex with 13-(S)-HODE
Descriptor: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
Authors:Itoh, T, Fairall, L, Schwabe, J.W.R.
Deposit date:2008-04-29
Release date:2008-08-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
3BE2
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BU of 3be2 by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a benzamide inhibitor
Descriptor: N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE, Vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Kim, J.L, Long, A.M, Gu, Y, Rose, P, Zhao, H.
Deposit date:2007-11-16
Release date:2008-04-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Naphthamides as novel and potent vascular endothelial growth factor receptor tyrosine kinase inhibitors: design, synthesis, and evaluation.
J.Med.Chem., 51, 2008
2VWF
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BU of 2vwf by Molmil
Grb2 SH3C (2)
Descriptor: GRB2-ASSOCIATED-BINDING PROTEIN 2, GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2
Authors:Harkiolaki, M, Tsirka, T, Feller, S.M.
Deposit date:2008-06-24
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Distinct Binding Modes of Two Epitopes in Gab2 that Interact with the Sh3C Domain of Grb2.
Structure, 17, 2009
3E16
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X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Prostasin, ...
Authors:Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
Deposit date:2008-08-01
Release date:2008-09-09
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design.
Bioorg.Med.Chem.Lett., 18, 2008
2VOO
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BU of 2voo by Molmil
Crystal structure of N-terminal domains of Human La protein complexed with RNA oligomer UUUUUUUU
Descriptor: 5'-R(*UP*UP*UP*UP*UP*UP*UP)-3', LUPUS LA PROTEIN
Authors:Kotik-Kogan, O, Valentine, E.R, Sanfelice, D, Conte, M.R, Curry, S.
Deposit date:2008-02-19
Release date:2008-05-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Analysis Reveals Conformational Plasticity in the Recognition of RNA 3' Ends by the Human La Protein.
Structure, 16, 2008
3BFX
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BU of 3bfx by Molmil
Crystal structure of human sulfotransferase SULT1C1 in complex with PAP
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase 1C2
Authors:Dong, A, Dombrovski, L, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2007-11-23
Release date:2007-12-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Human Sulfotransferases Sult1B1 and Sult1C1 Complexed with the Cofactor Product Adenosine-3'-5'-Diphosphate (Pap).
Proteins, 64, 2006
3BGO
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BU of 3bgo by Molmil
Azide complex of Engineered Subtilisin SUBT_BACAM
Descriptor: AZIDE ION, Subtilisin BPN', ZINC ION
Authors:Gallagher, D.T, Bryan, P.N.
Deposit date:2007-11-27
Release date:2008-06-03
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a switchable subtilisin complexed with a substrate and with the activator azide.
Biochemistry, 48, 2009
3BH8
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BU of 3bh8 by Molmil
Crystal Structure of RQA_M 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 (1.65 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
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
3BJ9
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Crystal structure of the Surrogate Light Chain Variable Domain VpreBJ
Descriptor: 1,2-ETHANEDIOL, Immunoglobulin iota chain, Immunoglobulin lambda-like polypeptide 1
Authors:Morstadt, L.M, Bohm, A.A, Stollar, B.D, Baleja, J.D.
Deposit date:2007-12-03
Release date:2008-03-04
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering and characterization of a single chain surrogate light chain variable domain.
Protein Sci., 17, 2008
3BIY
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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
3BJC
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Crystal structure of the PDE5A catalytic domain in complex with a novel inhibitor
Descriptor: 5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide, MAGNESIUM ION, ZINC ION, ...
Authors:Chen, G, Wang, H, Howard, R, Cai, J, Wan, Y, Ke, H.
Deposit date:2007-12-03
Release date:2008-04-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:An insight into the pharmacophores of phosphodiesterase-5 inhibitors from synthetic and crystal structural studies
BIOCHEM.PHARM., 75, 2008
3BJT
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Pyruvate kinase M2 is a phosphotyrosine binding protein
Descriptor: MAGNESIUM ION, OXALATE ION, Pyruvate kinase isozymes M1/M2
Authors:Wu, N.
Deposit date:2007-12-04
Release date:2008-03-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Pyruvate kinase M2 is a phosphotyrosine-binding protein.
Nature, 452, 2008

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