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4N7M
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Tailoring Small Molecules for an Allosteric Site on Procaspase-6
分子名称: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
著者Murray, J.M, Steffek, M.
登録日2013-10-15
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.125 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4N82
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BU of 4n82 by Molmil
X-ray crystal structure of Streptococcus sanguinis NrdIox
分子名称: FLAVIN MONONUCLEOTIDE, Ribonucleotide reductase, SULFATE ION
著者Boal, A.K, Rosenzweig, A.C.
登録日2013-10-16
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Streptococcus sanguinis Class Ib Ribonucleotide Reductase: HIGH ACTIVITY WITH BOTH IRON AND MANGANESE COFACTORS AND STRUCTURAL INSIGHTS.
J.Biol.Chem., 289, 2014
4MWT
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BU of 4mwt by Molmil
Crystal structure of human PPCA (trigonal crystal form 2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal protective protein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Kolli, N, Garman, S.C.
登録日2013-09-25
公開日2014-03-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.85 Å)
主引用文献Proteolytic activation of human cathepsin A.
J.Biol.Chem., 289, 2014
4MUM
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BU of 4mum by Molmil
Crystal structure of mitochondrial 5'(3')-deoxy ribonucleotidase alternative spliced variant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Pachl, P, Rezacova, P.
登録日2013-09-22
公開日2014-02-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.271 Å)
主引用文献Kinetic and structural characterization of an alternatively spliced variant of human mitochondrial 5'(3')-deoxyribonucleotidase.
J Enzyme Inhib Med Chem, 30, 2015
4MY4
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BU of 4my4 by Molmil
Crystal structure of phosphoglycerate mutase from Staphylococcus aureus.
分子名称: 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, MANGANESE (II) ION
著者Roychowdhury, A, Kundu, A, Gujar, A, Bose, M, Das, A.K.
登録日2013-09-27
公開日2013-10-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Complete catalytic cycle of cofactor-independent phosphoglycerate mutase involves a spring-loaded mechanism
Febs J., 282, 2015
4N3S
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BU of 4n3s by Molmil
Crystal structure of eukaryotic translation initiation factor eIF5B (399-852) from Saccharomyces cerevisiae, apo form
分子名称: 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 5B, GLYCEROL
著者Kuhle, B, Ficner, R.
登録日2013-10-07
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.832 Å)
主引用文献eIF5B employs a novel domain release mechanism to catalyze ribosomal subunit joining.
Embo J., 33, 2014
4N4G
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BU of 4n4g by Molmil
Crystal structure of the Bromo-PWWP of the mouse zinc finger MYND-type containing 11 isoform alpha
分子名称: PHOSPHATE ION, ZINC ION, Zinc finger MYND domain-containing protein 11
著者Li, Y, Ren, Y, Li, H.
登録日2013-10-08
公開日2014-03-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.947 Å)
主引用文献ZMYND11 links histone H3.3K36me3 to transcription elongation and tumour suppression
Nature, 508, 2014
4NGF
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Structure of human Dicer Platform-PAZ-Connector Helix cassette in complex with 17-mer siRNA having 5'-p and UU-3' ends (3.1 Angstrom resolution)
分子名称: 5'-R(P*UP*CP*GP*AP*AP*GP*GP*UP*CP*CP*UP*UP*CP*GP*UP*UP*U)-3', Endoribonuclease Dicer
著者Simanshu, D.K, Tian, Y, Patel, D.J.
登録日2013-11-01
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献A Phosphate-Binding Pocket within the Platform-PAZ-Connector Helix Cassette of Human Dicer.
Mol.Cell, 53, 2014
4NIN
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BU of 4nin by Molmil
DSVISLS segment 101-107 from Human Superoxide Dismutase
分子名称: DSVISLS segment from Superoxide dismutase [Cu-Zn], ZINC ION
著者Sievers, S.A, Sawaya, M.R, Eisenberg, D.
登録日2013-11-06
公開日2013-12-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.402 Å)
主引用文献Aggregation-triggering segments of SOD1 fibril formation support a common pathway for familial and sporadic ALS.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NIY
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BU of 4niy by Molmil
Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) complexed to YRH-ecotin (M84Y/M85R/A86H ecotin)
分子名称: CALCIUM ION, Cationic trypsin, Ecotin, ...
著者Schoepfel, M, Parthier, C, Stubbs, M.T.
登録日2013-11-08
公開日2014-02-19
最終更新日2014-03-19
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献N-terminal protein modification by substrate-activated reverse proteolysis.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NQ5
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BU of 4nq5 by Molmil
Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 complexed with compound CS319
分子名称: (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase 2, POTASSIUM ION, ...
著者Gonzalez, J.M, Gonzalez, M.M, Vila, A.J.
登録日2013-11-23
公開日2014-11-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Inhibition of metallo-lactamases with bicyclic compounds
TO BE PUBLISHED
4NR6
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BU of 4nr6 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand
分子名称: 1-[7-(3,4-dimethoxyphenyl)-9-{[(3R)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one, CREB-binding protein
著者Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Chaikuad, A, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-11-26
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand
To be Published
4NRI
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BU of 4nri by Molmil
Crystal Structure of a human Mms2/Ubc13 A122G mutant
分子名称: GLYCEROL, Ubiquitin-conjugating enzyme E2 N, Ubiquitin-conjugating enzyme E2 variant 2
著者Hodge, C.D, Edwards, R.A, Glover, J.N.M.
登録日2013-11-26
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Stochastic gate dynamics regulate the catalytic activity of ubiquitination enzymes.
J.Am.Chem.Soc., 136, 2014
4NTF
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BU of 4ntf by Molmil
Mus Musculus LTC4 synthase in S-hexyl-GSH complex form
分子名称: Leukotriene C4 synthase, NICKEL (II) ION, PALMITIC ACID, ...
著者Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
登録日2013-12-02
公開日2015-01-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献To be published
To be Published
4NVK
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Predicting protein conformational response in prospective ligand discovery.
分子名称: Cytochrome c peroxidase, N~2~,N~2~-diethylquinazoline-2,4-diamine, PHOSPHATE ION, ...
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NWQ
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Computationally Designed Two-Component Self-Assembling Tetrahedral Cage, T33-21, Crystallized in Space Group F4132
分子名称: Putative uncharacterized protein PH0671, SULFATE ION, Uncharacterized protein
著者McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O.
登録日2013-12-06
公開日2014-05-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Accurate design of co-assembling multi-component protein nanomaterials.
Nature, 510, 2014
4NGT
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BU of 4ngt by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
4NEX
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BU of 4nex by Molmil
Structure of the N-acetyltransferase domain of X. fastidiosa NAGS/K
分子名称: Acetylglutamate kinase, N-ACETYL-L-GLUTAMATE, SULFATE ION
著者Zhao, G, Jin, Z, Allewell, N.M, Tuchman, M, Shi, D.
登録日2013-10-30
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6955 Å)
主引用文献Structures of the N-acetyltransferase domain of Xylella fastidiosaN-acetyl-L-glutamate synthase/kinase with and without a His tag bound to N-acetyl-L-glutamate.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4NIO
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BU of 4nio by Molmil
GVTGIAQ segment 147-153 from Human Superoxide Dismutase with I149T mutation associated with a familial form of amyotrophic lateral sclerosis
分子名称: GVTGIAQ segment from Superoxide dismutase [Cu-Zn]
著者Sievers, S.A, Sawaya, M.R, Eisenberg, D, Ivanova, M.I.
登録日2013-11-06
公開日2013-12-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Aggregation-triggering segments of SOD1 fibril formation support a common pathway for familial and sporadic ALS.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NGP
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BU of 4ngp by Molmil
Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Tykvart, J, Pachl, P.
登録日2013-11-02
公開日2014-06-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
4NHD
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Crystal structure of beta-ketoacyl-ACP synthase III (FabH) from Vibrio Cholerae in complex with Coenzyme A
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 1, CALCIUM ION, COENZYME A, ...
著者Hou, J, Zheng, H, Langner, K, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-11-04
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of beta-ketoacyl-ACP synthase III (FabH) from Vibrio Cholerae in complex with Coenzyme A
To be Published
4NKL
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BU of 4nkl by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V66A/I92Q at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Sorenson, J.L, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
登録日2013-11-12
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Pressure effects in proteins
To be Published
4NMZ
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BU of 4nmz by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23Q/V66A at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Sorenson, J.L, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
登録日2013-11-15
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cavities in proteins
To be Published
4NNG
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Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide
分子名称: 30S ribosomal protein S1
著者Yang, J, Liu, Y, Cai, Q, Lin, D.
登録日2013-11-18
公開日2014-12-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide.
Mol.Microbiol., 95, 2015
4NRD
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Crystal structure of a putative GDSL-like lipase (BACOVA_04955) from Bacteroides ovatus ATCC 8483 at 2.10 A resolution
分子名称: 1,2-ETHANEDIOL, Uncharacterized protein
著者Joint Center for Structural Genomics (JCSG)
登録日2013-11-26
公開日2013-12-25
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a hypothetical protein (BACOVA_04955) from Bacteroides ovatus ATCC 8483 at 2.10 A resolution
To be published

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