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3DK7
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BU of 3dk7 by Molmil
Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
Descriptor: 2-amino-5-[3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide, Proto-oncogene tyrosine-protein kinase ABL1, SULFATE ION
Authors:Lewis, H.A.
Deposit date:2008-06-24
Release date:2008-07-29
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
To be Published
3DKL
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BU of 3dkl by Molmil
Crystal structure of phosphorylated mimic form of human NAMPT complexed with benzamide and phosphoribosyl pyrophosphate
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, BENZAMIDE, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L.
Deposit date:2008-06-25
Release date:2009-08-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT.
Proc.Natl.Acad.Sci.USA, 106, 2009
4H4F
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BU of 4h4f by Molmil
Crystal structure of human chymotrypsin C (CTRC) bound to inhibitor eglin c from Hirudo medicinalis
Descriptor: Chymotrypsin-C, Eglin C, PHOSPHATE ION
Authors:Batra, J, Soares, A.S, Radisky, E.S.
Deposit date:2012-09-17
Release date:2013-02-27
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Long-range Electrostatic Complementarity Governs Substrate Recognition by Human Chymotrypsin C, a Key Regulator of Digestive Enzyme Activation.
J.Biol.Chem., 288, 2013
4H4O
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BU of 4h4o by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with (E)-3-(3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)- 4-fluorophenoxy)-5-fluorophenyl)acrylonitrile (JLJ506), A Non-nucleoside inhibitor
Descriptor: (2E)-3-(3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5-fluorophenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, Exoribonuclease H, ...
Authors:Frey, K.M, Anderson, K.S.
Deposit date:2012-09-17
Release date:2012-12-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug Design.
J.Am.Chem.Soc., 134, 2012
2H2B
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BU of 2h2b by Molmil
Crystal Structure of ZO-1 PDZ1 Bound to a Phage-Derived Ligand (WRRTTYL)
Descriptor: ACETIC ACID, Tight junction protein ZO-1
Authors:Appleton, B.A, Zhang, Y, Wu, P, Yin, J.P, Hunziker, W, Skelton, N.J, Sidhu, S.S, Wiesmann, C.
Deposit date:2006-05-18
Release date:2006-06-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Comparative structural analysis of the Erbin PDZ domain and the first PDZ domain of ZO-1. Insights into determinants of PDZ domain specificity.
J.Biol.Chem., 281, 2006
2PLW
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BU of 2plw by Molmil
Crystal structure of a ribosomal RNA methyltransferase, putative, from Plasmodium falciparum (PF13_0052).
Descriptor: Ribosomal RNA methyltransferase, putative, S-ADENOSYLMETHIONINE, ...
Authors:Wernimont, A.K, Hassanali, A, Lin, L, Lew, J, Zhao, Y, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Qiu, W, Structural Genomics Consortium (SGC)
Deposit date:2007-04-20
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a ribosomal RNA methyltransferase, putative, from Plasmodium falciparum (PF13_0052).
To be Published
3M9Y
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BU of 3m9y by Molmil
Crystal structure of Triosephosphate isomerase from methicillin resistant Staphylococcus aureus at 1.9 Angstrom resolution
Descriptor: CITRIC ACID, SODIUM ION, Triosephosphate isomerase
Authors:Mukherjee, S, Dutta, D, Saha, B, Das, A.K.
Deposit date:2010-03-23
Release date:2011-04-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of triosephosphate isomerase from methicillin resistant Staphylococcus aureus MRSA252 provide structural insights into novel modes of ligand binding and unique conformations of catalytic loop
Biochimie, 94, 2012
3MP8
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BU of 3mp8 by Molmil
Crystal structure of Sgf29 tudor domain
Descriptor: 4-(HYDROXYMETHYL)BENZAMIDINE, ACETIC ACID, GLYCEROL, ...
Authors:Li, J, Wu, M, Ruan, J, Zang, J.
Deposit date:2010-04-26
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation
Embo J., 30, 2011
3MAD
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BU of 3mad by Molmil
Crystal structure of StSPL (symmetric form)
Descriptor: PHOSPHATE ION, Sphingosine-1-phosphate lyase
Authors:Bourquin, F, Grutter, M.G, Capitani, G.
Deposit date:2010-03-23
Release date:2010-08-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Function of Sphingosine-1-Phosphate Lyase, a Key Enzyme of Sphingolipid Metabolism.
Structure, 18, 2010
4LXM
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BU of 4lxm by Molmil
Crystal Structure of Human Beta Secretase in Complex with compound 12a
Descriptor: (1S,3S,4S,5R)-3-{4-amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]benzyl}-5-[(3-tert-butylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1-oxide, Beta-secretase 1
Authors:Rondeau, J.M, Bourgier, E.
Deposit date:2013-07-30
Release date:2013-08-28
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of cyclic sulfoxide hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides.
Bioorg.Med.Chem.Lett., 23, 2013
2B9D
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BU of 2b9d by Molmil
Crystal Structure of HPV E7 CR3 domain
Descriptor: E7 protein, ZINC ION
Authors:Liu, X, Clements, A, Zhao, K, Marmorstein, R.
Deposit date:2005-10-11
Release date:2005-10-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the human Papillomavirus E7 oncoprotein and its mechanism for inactivation of the retinoblastoma tumor suppressor.
J.Biol.Chem., 281, 2006
3GW3
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BU of 3gw3 by Molmil
human UROD mutant K297N
Descriptor: Uroporphyrinogen decarboxylase
Authors:Hill, C.P, Phillips, J.D, Whitby, F.G, Warby, C, Kushner, J.P.
Deposit date:2009-03-31
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and kinetic characterization of mutant human uroporphyrinogen decarboxylases.
Cell Mol Biol (Noisy-le-grand), 55, 2009
2PWO
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BU of 2pwo by Molmil
Crystal Structure of HIV-1 CA146 A92E Psuedo Cell
Descriptor: CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol)
Authors:Kelly, B.N.
Deposit date:2007-05-11
Release date:2007-09-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of the Antiviral Assembly Inhibitor CAP-1 Complex with the HIV-1 CA Protein.
J.Mol.Biol., 373, 2007
3MBB
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BU of 3mbb by Molmil
Crystal structure of StSPL - apo form, after treatment with semicarbazide
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Putative sphingosine-1-phosphate lyase, ...
Authors:Bourquin, F, Grutter, M.G, Capitani, G.
Deposit date:2010-03-25
Release date:2010-08-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:Structure and Function of Sphingosine-1-Phosphate Lyase, a Key Enzyme of Sphingolipid Metabolism.
Structure, 18, 2010
3GWK
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BU of 3gwk by Molmil
Structure of the homodimeric WXG-100 family protein from Streptococcus agalactiae
Descriptor: Putative uncharacterized protein SAG1039, SULFATE ION
Authors:Poulsen, C, Gries, F, Wilmanns, M, Song, Y.H.
Deposit date:2009-04-01
Release date:2010-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:WXG100 protein superfamily consists of three subfamilies and exhibits an alpha-helical C-terminal conserved residue pattern.
Plos One, 9, 2014
2PX7
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BU of 2px7 by Molmil
Crystal structure of 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase from Thermus thermophilus HB8
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase
Authors:Chen, L, Tsukuda, M, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Chen, L.-Q, Liu, Z.-J, Lee, D, Chang, S.-H, Nguyen, D, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-05-14
Release date:2007-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase from Thermus thermophilus HB8.
To be Published
3MCB
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BU of 3mcb by Molmil
Crystal structure of NAC domains of human nascent polypeptide-associated complex (NAC)
Descriptor: IODIDE ION, Nascent polypeptide-associated complex subunit alpha, Transcription factor BTF3
Authors:Wang, L.F, Zhang, W.C, Wang, L, Zhang, X.J.C, Li, X.M, Rao, Z.
Deposit date:2010-03-29
Release date:2010-07-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of NAC domains of human nascent polypeptide-associated complex (NAC) and its alphaNAC subunit
Protein Cell, 1, 2010
3MRK
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BU of 3mrk by Molmil
Crystal Structure of MHC class I HLA-A2 molecule complexed with AFP137 nonapeptide
Descriptor: 9-meric peptide from Alpha-fetoprotein, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Chouquet, A, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D.
Deposit date:2010-04-29
Release date:2011-05-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of MHC class I HLA-A2 molecule complexed with AFP137 nonapeptide
To be Published
4HFO
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BU of 4hfo by Molmil
Biogenic amine-binding protein selenomethionine derivative
Descriptor: Biogenic amine-binding protein
Authors:Andersen, J.F, Xu, X, Chang, B, Mans, B.J, Ribeiro, J.M.
Deposit date:2012-10-05
Release date:2013-01-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and ligand-binding properties of the biogenic amine-binding protein from the saliva of a blood-feeding insect vector of Trypanosoma cruzi.
Acta Crystallogr.,Sect.D, 69, 2013
4LXB
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BU of 4lxb by Molmil
Crystal Structure Analysis of thrombin in complex with compound D58
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide, Hirudin variant-1, ...
Authors:Stehlin-Gaon, C, Bocskei, Z.
Deposit date:2013-07-29
Release date:2014-06-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor.
J.Med.Chem., 56, 2013
3GZ8
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BU of 3gz8 by Molmil
Cocrystal structure of NUDIX domain of Shewanella oneidensis NrtR complexed with ADP ribose
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, MutT/nudix family protein
Authors:Huang, N, Zhang, H.
Deposit date:2009-04-06
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structure and function of an ADP-ribose-dependent transcriptional regulator of NAD metabolism
Structure, 17, 2009
2PXX
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BU of 2pxx by Molmil
Human putative methyltransferase MGC2408
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION, Uncharacterized protein MGC2408
Authors:Tempel, W, Wu, H, Dombrovsky, L, Zeng, H, Zhu, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2007-05-14
Release date:2007-05-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:An intact SAM-dependent methyltransferase fold is encoded by the human endothelin-converting enzyme-2 gene.
Proteins, 74, 2009
4H89
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BU of 4h89 by Molmil
The Structure of a GCN5-Related N-Acetyltransferase from Kribbella flavida
Descriptor: GCN5-related N-acetyltransferase
Authors:Cuff, M.E, Mcknight, S.M, Mack, J.C, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-09-21
Release date:2012-10-10
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:The Structure of a GCN5-Related N-Acetyltransferase from Kribbella flavida.
TO BE PUBLISHED
3H0W
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BU of 3h0w by Molmil
Human AdoMetDC with 5'-Deoxy-5'-[(N-dimethyl)amino]-8-methyl-adenosine
Descriptor: 1,4-DIAMINOBUTANE, 5'-deoxy-5'-(dimethylamino)-8-methyladenosine, PYRUVIC ACID, ...
Authors:Bale, S, Brooks, W.H, Hanes, J.W, Mahesan, A.M, Guida, W.C, Ealick, S.E.
Deposit date:2009-04-10
Release date:2009-06-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Role of the sulfonium center in determining the ligand specificity of human s-adenosylmethionine decarboxylase.
Biochemistry, 48, 2009
3MG6
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BU of 3mg6 by Molmil
Structure of yeast 20S open-gate proteasome with Compound 6
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N~2~-{[(1S)-6-methoxy-3-oxo-2,3-dihydro-1H-inden-1-yl]acetyl}-N-{(1S)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}-L-threoninamide, ...
Authors:Sintchak, M.D.
Deposit date:2010-04-05
Release date:2011-05-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Characterization of a new series of non-covalent proteasome inhibitors with exquisite potency and selectivity for the 20S beta5-subunit.
Biochem.J., 430, 2010

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數據於2024-07-17公開中

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