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3D4B
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Crystal structure of Sir2Tm in complex with Acetyl p53 peptide and DADMe-NAD+
分子名称: 5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine, Acetyl P53 peptide, NAD-dependent deacetylase, ...
著者Hawse, W.F, Hoff, K.G, Fatkins, D, Daines, A, Zubkova, O.V, Schramm, V.L, Zheng, W, Wolberger, C.
登録日2008-05-14
公開日2008-09-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into intermediate steps in the Sir2 deacetylation reaction.
Structure, 16, 2008
3D7K
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BU of 3d7k by Molmil
Crystal structure of benzaldehyde lyase in complex with the inhibitor MBP
分子名称: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Benzaldehyde lyase, CALCIUM ION
著者Brandt, G.S.
登録日2008-05-21
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Probing the active center of benzaldehyde lyase with substitutions and the pseudosubstrate analogue benzoylphosphonic acid methyl ester
Biochemistry, 47, 2008
3CEB
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Crystal structure of a putative 4-amino-4-deoxychorismate lyase (hs_0128) from haemophilus somnus 129pt at 2.40 A resolution
分子名称: D-aminoacid aminotransferase-like PLP-dependent enzyme, GLYCEROL, SULFATE ION
著者Joint Center for Structural Genomics (JCSG)
登録日2008-02-28
公開日2008-03-18
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of D-aminoacid Aminotransferase-Like PLP-Dependent Enzyme (YP_718332.1) from Haemophilus somnus 129PT at 2.40 A resolution
To be published
3D4O
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BU of 3d4o by Molmil
Crystal structure of dipicolinate synthase subunit A (NP_243269.1) from BACILLUS HALODURANS at 2.10 A resolution
分子名称: 1,2-ETHANEDIOL, D(-)-TARTARIC ACID, Dipicolinate synthase subunit A
著者Joint Center for Structural Genomics (JCSG)
登録日2008-05-14
公開日2008-07-08
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 dipicolinate synthase subunit A (NP_243269.1) from BACILLUS HALODURANS at 2.10 A resolution
To be published
8SWJ
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BU of 8swj by Molmil
Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531
分子名称: (3S)-N-(4'-carbamoyl[1,1'-biphenyl]-3-yl)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-3-carboxamide, TP53-binding protein 1, UNKNOWN ATOM OR ION
著者Zeng, H, Dong, A, Shell, D.J, Foley, C, Pearce, K.H, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-05-18
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531
To be published
3CEX
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BU of 3cex by Molmil
Crystal structure of the conserved protein of locus EF_3021 from Enterococcus faecalis
分子名称: ACETIC ACID, GLYCEROL, Uncharacterized protein
著者Cuff, M.E, Wu, R, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2008-02-29
公開日2008-05-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the conserved protein of locus EF_3021 from Enterococcus faecalis.
TO BE PUBLISHED
3D6J
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BU of 3d6j by Molmil
Crystal structure of Putative haloacid dehalogenase-like hydrolase from Bacteroides fragilis
分子名称: GLYCEROL, PHOSPHATE ION, Putative haloacid dehalogenase-like hydrolase
著者Chang, C, Wu, R, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2008-05-19
公開日2008-07-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Putative haloacid dehalogenase-like hydrolase from Bacteroides fragilis
To be Published
8SKP
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BU of 8skp by Molmil
X-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia in complex with 1-hydroxypyridine-2(1H)-thione-6-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 1-hydroxy-6-sulfanylidene-1,6-dihydropyridine-2-carboxylic acid, Metallo-beta-lactamase type 2, ...
著者Thoden, J.B, Holden, H.M.
登録日2023-04-20
公開日2023-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Characterization of a novel inhibitor for the New Delhi metallo-beta-lactamase-4: Implications for drug design and combating bacterial drug resistance.
J.Biol.Chem., 299, 2023
3D6N
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BU of 3d6n by Molmil
Crystal Structure of Aquifex Dihydroorotase Activated by Aspartate Transcarbamoylase
分子名称: Aspartate carbamoyltransferase, CITRATE ANION, Dihydroorotase, ...
著者Edwards, B.F.P.
登録日2008-05-20
公開日2009-01-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Dihydroorotase from the hyperthermophile Aquifiex aeolicus is activated by stoichiometric association with aspartate transcarbamoylase and forms a one-pot reactor for pyrimidine biosynthesis.
Biochemistry, 48, 2009
6E3E
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BU of 6e3e by Molmil
Structure of RORgt in complex with a novel inverse agonist.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]-5-oxopentanoic acid, Nuclear receptor ROR-gamma, ...
著者Skene, R.J, Hoffman, I.
登録日2018-07-13
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Retinoic Acid-Related Orphan Receptor gamma t (ROR gamma t) Agonist Structure-Based Functionality Switching Approach from In House ROR gamma t Inverse Agonist to ROR gamma t Agonist.
J.Med.Chem., 62, 2019
3CFE
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BU of 3cfe by Molmil
Crystal structure of purple-fluorescent antibody EP2-25C10
分子名称: GLYCEROL, PURPLE-FLUORESCENT ANTIBODY EP2-25C10-IGG2B HEAVY CHAIN, PURPLE-FLUORESCENT ANTIBODY EP2-25C10-KAPPA LIGHT CHAIN, ...
著者Debler, E.W, Heine, A, Wilson, I.A.
登録日2008-03-03
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Deeply inverted electron-hole recombination in a luminescent antibody-stilbene complex.
Science, 319, 2008
1EXC
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BU of 1exc by Molmil
CRYSTAL STRUCTURE OF B. SUBTILIS MAF PROTEIN COMPLEXED WITH D-(UTP)
分子名称: DEOXYURIDINE-5'-TRIPHOSPHATE, PROTEIN MAF, SODIUM ION
著者Minasov, G, Teplova, M, Stewart, G.C, Koonin, E.V, Anderson, W.F, Egli, M, Midwest Center for Structural Genomics (MCSG)
登録日2000-05-02
公開日2000-06-14
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Functional implications from crystal structures of the conserved Bacillus subtilis protein Maf with and without dUTP.
Proc.Natl.Acad.Sci.USA, 97, 2000
3D75
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BU of 3d75 by Molmil
Crystal structure of a pheromone binding protein mutant D35N, from Apis mellifera, at pH 5.5
分子名称: N-BUTYL-BENZENESULFONAMIDE, Pheromone-binding protein ASP1
著者Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C.
登録日2008-05-20
公開日2009-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release
J.Mol.Biol., 390, 2009
3D7C
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BU of 3d7c by Molmil
Crystal structure of the bromodomain of human GCN5, the general control of amino-acid synthesis protein 5-like 2
分子名称: General control of amino acid synthesis protein 5-like 2
著者Filippakopoulos, P, Eswaran, J, Picaud, S, Fedorov, O, Murray, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-05-21
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
7SJK
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Structure of PLS A-domain (residues 391-656) from Staphylococcus aureus
分子名称: CALCIUM ION, Pls Plasmin sensitive surface protein
著者Clark, L, Whelan, F, Atkin, K.E, Brentnall, A.S, Dodson, E.J, Turkenburg, J.P, Potts, J.R.
登録日2021-10-18
公開日2022-10-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.208 Å)
主引用文献Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
3CFP
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BU of 3cfp by Molmil
Structure of the replicating complex of a POL Alpha family DNA Polymerase, ternary complex 1
分子名称: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*DAP*DCP*DAP*DGP*DGP*DTP*DAP*DAP*DGP*DCP*DAP*DGP*DTP*DCP*DCP*DGP*DCP*DG)-3'), ...
著者Wang, J, Klimenko, D, Wang, M, Steitz, T.A, Konigsberg, W.H.
登録日2008-03-04
公開日2009-03-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insights into base selectivity from the structures of an RB69 DNA Polymerase triple mutant
To be Published
3CGE
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BU of 3cge by Molmil
Pyridine Nucleotide Complexes with Bacillus anthracis Coenzyme A-Disulfide Reductase: A Structural Analysis of Dual NAD(P)H Specificity
分子名称: COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Wallen, J.R.
登録日2008-03-05
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.262 Å)
主引用文献Pyridine Nucleotide Complexes with Bacillus anthracis Coenzyme A-Disulfide Reductase: A Structural Analysis of Dual NAD(P)H Specificity.
Biochemistry, 47, 2008
8SVY
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BU of 8svy by Molmil
MBP-Mcl1 in complex with ligand 10
分子名称: (15P)-17-chloro-33-fluoro-12-[(2-methoxyethoxy)methyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,13,14,22-pentaazaheptacyclo[27.7.1.1~4,7~.0~11,15~.0~16,21~.0~20,24~.0~30,35~]octatriaconta-1(36),4(38),6,11(15),12,16,18,20,23,29(37),30,32,34-tridecaene-23-carboxylic acid, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Miller, B.R, Shaffer, P.
登録日2023-05-17
公開日2023-08-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Macrocyclic Carbon-Linked Pyrazoles As Novel Inhibitors of MCL-1.
Acs Med.Chem.Lett., 14, 2023
7SH1
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BU of 7sh1 by Molmil
Class II UvrA protein - Ecm16
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Excinuclease ABC subunit UvrA, ...
著者Grade, P, Erlandson, A, Ullah, A, Mathews, I.I, Chen, X, Kim, C.-Y, Mera, P.E.
登録日2021-10-07
公開日2022-10-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural and functional analyses of the echinomycin resistance conferring protein Ecm16 from Streptomyces lasalocidi.
Sci Rep, 13, 2023
3CHI
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BU of 3chi by Molmil
Crystal Structure of Di-iron AurF (Monoclinic form)
分子名称: MU-OXO-DIIRON, p-Aminobenzoate N-Oxygenase
著者Zhang, H, Brunzelle, J.S, Nair, S.K.
登録日2008-03-09
公開日2008-05-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献In vitro reconstitution and crystal structure of p-aminobenzoate N-oxygenase (AurF) involved in aureothin biosynthesis.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3D80
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Structural Analysis of a Holo Enzyme Complex of Mouse Dihydrofolate Reductase with NADPH and a Ternary Complex wtih the Potent and Selective Inhibitor 2,4-Diamino-6-(2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine
分子名称: (4aS)-5-[(2,4-diaminopteridin-6-yl)methyl]-4a,5-dihydro-2H-dibenzo[b,f]azepin-8-ol, Dihydrofolate reductase, GLYCEROL, ...
著者Cody, V.
登録日2008-05-22
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural analysis of a holoenzyme complex of mouse dihydrofolate reductase with NADPH and a ternary complex with the potent and selective inhibitor 2,4-diamino-6-(2'-hydroxydibenz[b,f]azepin-5-yl)methylpteridine.
Acta Crystallogr.,Sect.D, 64, 2008
6E3G
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Structure of RORgt in complex with a novel agonist.
分子名称: (5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide, 1,2-ETHANEDIOL, Nuclear receptor ROR-gamma, ...
著者Skene, R.J, Hoffman, I.
登録日2018-07-13
公開日2019-06-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Retinoic Acid-Related Orphan Receptor gamma t (ROR gamma t) Agonist Structure-Based Functionality Switching Approach from In House ROR gamma t Inverse Agonist to ROR gamma t Agonist.
J.Med.Chem., 62, 2019
8SKN
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Crystal structure of compound 3-bound human Dynamin-1-like protein GTPase-BSE fusion
分子名称: 1,2-ETHANEDIOL, Dynamin-1-like protein GTPase-BSE fusion, N-[4-(azetidin-1-yl)-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide
著者Ma, B.
登録日2023-04-20
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Discovery of Potent Allosteric DRP1 Inhibitors by Disrupting Protein-Protein Interaction with MiD49.
Acs Med.Chem.Lett., 14, 2023
3CEC
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Crystal structure of a putative antidote protein of plasmid maintenance system (npun_f2943) from nostoc punctiforme pcc 73102 at 1.60 A resolution
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, DI(HYDROXYETHYL)ETHER, Putative antidote protein of plasmid maintenance system
著者Joint Center for Structural Genomics (JCSG)
登録日2008-02-28
公開日2008-03-11
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of putative antidote protein of plasmid maintenance system (ZP_00107635.1) from Nostoc punctiforme PCC 73102 at 1.60 A resolution
To be published
3CHW
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Complex of Dictyostelium discoideum Actin with Profilin and the Last Poly-Pro of Human VASP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Major actin, ...
著者Baek, K, Dominguez, R.
登録日2008-03-10
公開日2008-08-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Modulation of actin structure and function by phosphorylation of Tyr-53 and profilin binding.
Proc.Natl.Acad.Sci.Usa, 105, 2008

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