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2D82
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BU of 2d82 by Molmil
Target Structure-Based Discovery of Small Molecules that Block Human p53 and CREB Binding Protein (CBP) Association
Descriptor: 9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE, CREB-binding protein
Authors:Sachchidanand, Resnick-Silverman, L, Yan, S, Mujtaba, S, Liu, W.J, Zeng, L, Manfredi, J.J, Zhou, M.M.
Deposit date:2005-12-01
Release date:2006-04-04
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Target structure-based discovery of small molecules that block human p53 and CREB binding protein association
Chem.Biol., 13, 2006
2DAL
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BU of 2dal by Molmil
Solution Structure of the Novel Identified UBA-like Domain in the N-terminal of Human Fas Associated Factor 1 Protein
Descriptor: Protein KIAA0794
Authors:Zhao, C, Kigawa, T, Tomizawa, T, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-12-14
Release date:2006-06-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of the Novel Identified UBA-like Domain in the N-terminal of Human Fas Associated Factor 1 Protein
To be Published
1U16
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BU of 1u16 by Molmil
Crystal structure of a duck-delta-crystallin-1 double loop mutant (DLM) in complex with sulfate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Delta crystallin I, ...
Authors:Tsai, M, Sampaleanu, L.M, Greene, C, Creagh, L, Haynes, C, Howell, P.L.
Deposit date:2004-07-14
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A duck delta1 crystallin double loop mutant provides insight into residues important for argininosuccinate lyase activity.
Biochemistry, 43, 2004
1Z8I
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BU of 1z8i by Molmil
Crystal structure of the thrombin mutant G193A bound to PPACK
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, ...
Authors:Bobofchak, K.M, Pineda, A.O, Mathews, F.S, Di Cera, E.
Deposit date:2005-03-30
Release date:2005-05-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Energetic and structural consequences of perturbing Gly-193 in the oxyanion hole of serine proteases
J.Biol.Chem., 280, 2005
2D1Z
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BU of 2d1z by Molmil
Crystal structure of catalytic-site mutant xylanase from Streptomyces olivaceoviridis E-86
Descriptor: ENDO-1,4-BETA-D-XYLANASE, GLYCEROL, SULFATE ION
Authors:Suzuki, R, Kuno, A, Fujimoto, Z, Ito, S, Kawahara, S.I, Kaneko, S, Hasegawa, T, Taira, K.
Deposit date:2005-09-02
Release date:2006-10-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic snapshots of an entire reaction cycle for a retaining xylanase from Streptomyces olivaceoviridis E-86
J.Biochem., 146, 2009
4C72
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BU of 4c72 by Molmil
Crystal structure of M. tuberculosis C171Q KasA in complex with TLM5
Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (5R)-3-acetyl-4-hydroxy-5-methyl-5-[(1Z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one, 1,2-ETHANEDIOL, ...
Authors:Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C.
Deposit date:2013-09-19
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
J.Biol.Chem., 288, 2013
1ZAP
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BU of 1zap by Molmil
SECRETED ASPARTIC PROTEASE FROM C. ALBICANS
Descriptor: N-ethyl-N-[(4-methylpiperazin-1-yl)carbonyl]-D-phenylalanyl-N-[(1S,2S,4R)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hyd roxy-5-methylhexyl]-L-norleucinamide, SECRETED ASPARTIC PROTEINASE, ZINC ION
Authors:Abad-Zapatero, C, Muchmore, S.W.
Deposit date:1996-01-16
Release date:1997-04-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a secreted aspartic protease from C. albicans complexed with a potent inhibitor: implications for the design of antifungal agents.
Protein Sci., 5, 1996
4GC9
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BU of 4gc9 by Molmil
Crystal structure of murine TFB1M in complex with SAM
Descriptor: ACETATE ION, Dimethyladenosine transferase 1, mitochondrial, ...
Authors:Guja, K.E, Yakubovskaya, E, Shi, H, Mejia, E, Hambardjieva, E, Venkataraman, K, Karzai, A.W, Garcia-Diaz, M.
Deposit date:2012-07-30
Release date:2013-07-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Structural basis for S-adenosylmethionine binding and methyltransferase activity by mitochondrial transcription factor B1.
Nucleic Acids Res., 41, 2013
4C2Y
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BU of 4c2y by Molmil
Human N-myristoyltransferase (NMT1) with Myristoyl-CoA co-factor
Descriptor: CITRIC ACID, GLYCEROL, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE 1, ...
Authors:Thinon, E, Serwa, R.A, Brannigan, J.A, Brassat, U, Wright, M.H, Heal, W.P, Wilkinson, A.J, Mann, D.J, Tate, E.W.
Deposit date:2013-08-20
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Global Profiling of Co- and Post-Translationally N-Myristoylated Proteomes in Human Cells.
Nat.Commun., 5, 2014
2CQT
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BU of 2cqt by Molmil
Crystal Structure of Cellvibrio gilvus Cellobiose Phosphorylase Crystallized from Sodium/Potassium Phosphate
Descriptor: Cellobiose Phosphorylase, GLYCEROL, PHOSPHATE ION, ...
Authors:Hidaka, M, Kitaoka, M, Hayashi, K, Wakagi, T, Shoun, H, Fushinobu, S.
Deposit date:2005-05-20
Release date:2006-05-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural dissection of the reaction mechanism of cellobiose phosphorylase.
Biochem.J., 398, 2006
1U15
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BU of 1u15 by Molmil
Crystal structure of a duck-delta-crystallin-1 double loop mutant (DLM)
Descriptor: Delta crystallin I
Authors:Tsai, M, Sampaleanu, L.M, Greene, C, Creagh, L, Haynes, C, Howell, P.L.
Deposit date:2004-07-14
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A duck delta1 crystallin double loop mutant provides insight into residues important for argininosuccinate lyase activity.
Biochemistry, 43, 2004
4I0S
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BU of 4i0s by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(6-Chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
Descriptor: 2-(6-chloro-1-methyl-1H-indazol-3-yl)-N-(propan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
Authors:Kuglstatter, A, Slade, M.
Deposit date:2012-11-19
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
2D89
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BU of 2d89 by Molmil
Solution structure of the CH domain from human EH domain binding protein 1
Descriptor: EHBP1 protein
Authors:Tomizawa, T, Kigawa, T, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-12-02
Release date:2006-06-02
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the CH domain from human EH domain binding protein 1
To be Published
2Z9W
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BU of 2z9w by Molmil
Crystal structure of pyridoxamine-pyruvate aminotransferase complexed with pyridoxal
Descriptor: 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE, Aspartate aminotransferase, GLYCEROL, ...
Authors:Yoshikane, Y, Yokochi, N, Yamasaki, M, Mizutani, K, Ohnishi, K, Mikami, B, Hayashi, H, Yagi, T.
Deposit date:2007-09-26
Release date:2007-11-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of pyridoxamine-pyruvate aminotransferase from Mesorhizobium loti MAFF303099
J.Biol.Chem., 283, 2008
4I49
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BU of 4i49 by Molmil
Structure of ngNAGS bound with bisubstrate analog CoA-NAG
Descriptor: (2S)-2-({(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicosan-20-yl}amino)pentanedioic acid (non-preferred name), Amino-acid acetyltransferase, SULFATE ION
Authors:Shi, D, Zhao, G, Allewell, N.M, Tuchman, M.
Deposit date:2012-11-27
Release date:2013-01-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure of the complex of Neisseria gonorrhoeae N-acetyl-l-glutamate synthase with a bound bisubstrate analog.
Biochem.Biophys.Res.Commun., 430, 2013
3OGP
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BU of 3ogp by Molmil
Crystal Structure of 6s-98S FIV Protease with Darunavir bound
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, DIMETHYL SULFOXIDE, FIV Protease
Authors:Lin, Y.-C, Perryman, A.L, Elder, J.H, Stout, C.D.
Deposit date:2010-08-17
Release date:2011-06-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for drug and substrate specificity exhibited by FIV encoding a chimeric FIV/HIV protease.
Acta Crystallogr.,Sect.D, 67, 2011
3ODR
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BU of 3odr by Molmil
Crystal Structure of the N-terminal Domain of Human Symplekin
Descriptor: 1,2-ETHANEDIOL, Symplekin
Authors:Tong, L, Xiang, K.
Deposit date:2010-08-11
Release date:2010-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the human symplekin-Ssu72-CTD phosphopeptide complex.
Nature, 467, 2010
4BVV
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BU of 4bvv by Molmil
Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.
Descriptor: 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, APOLIPOPROTEIN(A), SULFATE ION
Authors:Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W.
Deposit date:2013-06-28
Release date:2014-07-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
4C08
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BU of 4c08 by Molmil
Crystal structure of M. musculus protein arginine methyltransferase PRMT6 with CaCl2 at 1.34 Angstroms
Descriptor: CALCIUM ION, PENTAETHYLENE GLYCOL, PROTEIN ARGININE N-METHYLTRANSFERASE 6
Authors:Bonnefond, L, Cura, V, Troffer-Charlier, N, Mailliot, J, Wurtz, J.M, Cavarelli, J.
Deposit date:2013-07-31
Release date:2014-07-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.338 Å)
Cite:Functional Insights from High Resolution Structures of Mouse Protein Arginine Methyltransferase 6.
J.Struct.Biol., 191, 2015
2ZM4
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BU of 2zm4 by Molmil
Crystal structure of imidazo quinoxaline 1 bound to the kinase domain of human LCK, activated form (auto-phosphorylated on TYR394)
Descriptor: DIMETHYL SULFOXIDE, N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine, Proto-oncogene tyrosine-protein kinase LCK, ...
Authors:Tsuji, E.
Deposit date:2008-04-11
Release date:2008-10-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase
Bioorg.Med.Chem., 16, 2008
2ZM8
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BU of 2zm8 by Molmil
Structure of 6-Aminohexanoate-dimer Hydrolase, S112A/D370Y Mutant Complexed with 6-Aminohexanoate-dimer
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
Authors:Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Negoro, S.
Deposit date:2008-04-14
Release date:2009-04-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Two alternative modes for optimizing nylon-6 byproduct hydrolytic activity from a carboxylesterase with a beta-lactamase fold: X-ray crystallographic analysis of directly evolved 6-aminohexanoate-dimer hydrolase.
Protein Sci., 18, 2009
1XJA
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BU of 1xja by Molmil
Apo form of the Y31V mutant dimerization domain fragment of Escherichia coli regulatory protein AraC
Descriptor: 1,2-ETHANEDIOL, Arabinose operon regulatory protein
Authors:Weldon, J.E, Larkin, C, Schleif, R.F.
Deposit date:2004-09-23
Release date:2004-10-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and properties of a truely apo form of AraC dimerization domain.
Proteins, 66, 2007
4K2H
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BU of 4k2h by Molmil
Crystal structure of C103A mutant of DJ-1 superfamily protein STM1931 from Salmonella typhimurium
Descriptor: Intracellular protease/amidase, ZINC ION
Authors:Shumilin, I.A, Niedzialkowska, E, Domagalski, M.J, Stam, J, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-04-09
Release date:2013-04-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of C103A mutant of DJ-1 superfamily protein STM1931 from Salmonella typhimurium
TO BE PUBLISHED
1IVN
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BU of 1ivn by Molmil
E.coli Thioesterase I/Protease I/Lysophospholiase L1
Descriptor: GLYCEROL, SULFATE ION, Thioesterase I
Authors:Lo, Y.-C, Shaw, J.-F, Liaw, Y.-C.
Deposit date:2002-03-27
Release date:2003-07-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Escherichia coli Thioesterase I/Protease I/Lysophospholipase L1: Consensus Sequence Blocks Constitute the Catalytic Center of SGNH-hydrolases through a Conserved Hydrogen Bond Network
J.Mol.Biol., 330, 2003
2Z6O
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BU of 2z6o by Molmil
Crystal Structure of the Ufc1, Ufm1 conjugating enzyme 1
Descriptor: MAGNESIUM ION, Ufm1-conjugating enzyme 1
Authors:Mizushima , T, Tatsumi, K, Ozaki, Y, Kawakami, T, Suzuki, A, Ogasahara, K, Komatsu, M, Kominami, E, Tanaka, K, Yamane, T.
Deposit date:2007-08-06
Release date:2007-09-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of Ufc1, the Ufm1-conjugating enzyme
Biochem.Biophys.Res.Commun., 362, 2007

245663

數據於2025-12-03公開中

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