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4NI8
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BU of 4ni8 by Molmil
Crystal structure of 5-carboxyvanillate decarboxylase LigW from Sphingomonas paucimobilis complexed with Mn and 5-methoxyisophtalic acid
分子名称: 1,2-ETHANEDIOL, 5-carboxyvanillate decarboxylase, 5-methoxybenzene-1,3-dicarboxylic acid, ...
著者Fedorov, A.A, Fedorov, E.V, Vladimirova, A, Raushel, F.M, Almo, S.C.
登録日2013-11-05
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of 5-carboxyvanillate decarboxylase LigW from Sphingomonas paucimobilis complexed with Mn and 5-methoxyisophtalic acid
To be Published
4FQ9
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BU of 4fq9 by Molmil
Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa
分子名称: 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, GLYCEROL, PHOSPHATE ION
著者Moynie, L, Mcmahon, S.A, Duthie, F.G, Naismith, J.H.
登録日2012-06-25
公開日2013-03-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural insights into the mechanism and inhibition of the beta-hydroxydecanoyl-acyl carrier protein dehydratase from Pseudomonas aeruginosa
J.Mol.Biol., 425, 2013
4NNN
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BU of 4nnn by Molmil
yCP in complex with MG132
分子名称: MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ...
著者Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M.
登録日2013-11-18
公開日2014-02-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
4FL4
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BU of 4fl4 by Molmil
Scaffoldin conformation and dynamics revealed by a ternary complex from the Clostridium thermocellum cellulosome
分子名称: CALCIUM ION, Cellulosome anchoring protein cohesin region, Glycoside hydrolase family 9, ...
著者Currie, M.A, Adams, J.J, Faucher, F, Bayer, E.A, Jia, Z, Smith, S.P, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2012-06-14
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Scaffoldin Conformation and Dynamics Revealed by a Ternary Complex from the Clostridium thermocellum Cellulosome.
J.Biol.Chem., 287, 2012
4FMA
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BU of 4fma by Molmil
EspG structure
分子名称: ACETIC ACID, EspG protein, FORMIC ACID, ...
著者Shao, F, Zhu, Y, Hu, L.
登録日2012-06-16
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses.
Cell(Cambridge,Mass.), 150, 2012
4NW2
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BU of 4nw2 by Molmil
Tandem chromodomains of human CHD1 in complex with Influenza virus NS1 C-terminal tail trimethylated at K229
分子名称: Chromodomain-helicase-DNA-binding protein 1, GLYCEROL, Nonstructural protein 1, ...
著者Qin, S, Tempel, W, Xu, C, El Bakkouri, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-12-05
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for histone mimicry and hijacking of host proteins by influenza virus protein NS1.
Nat Commun, 5, 2014
4NXM
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BU of 4nxm by Molmil
Crystal Structure of the 30S ribosomal subunit from a GidB (RsmG) mutant of Thermus thermophilus (HB8)
分子名称: 16S rRNA, MAGNESIUM ION, ZINC ION, ...
著者Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G.
登録日2013-12-09
公開日2014-05-21
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献A structural basis for streptomycin resistance
To be Published
4PX5
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BU of 4px5 by Molmil
Human GKRP bound to AMG-0696 and Sorbitol-6-phosphate
分子名称: D-SORBITOL-6-PHOSPHATE, GLYCEROL, Glucokinase regulatory protein, ...
著者Jordan, S.R, Chmait, S.
登録日2014-03-21
公開日2015-05-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Structure Guided Optimization of Diarylmethanesulfonamide Disruptors of GK-GKRP Binding
To be Published
4Q33
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BU of 4q33 by Molmil
Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and A110
分子名称: 4-[(1R)-1-[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]ethoxy]-1-oxidanyl-quinoline, ACETIC ACID, FORMIC ACID, ...
著者Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Gu, M, Zhang, M, Mandapati, K, Gollapalli, D.R, Gorla, S.K, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-04-10
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.885 Å)
主引用文献Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and A110
TO BE PUBLISHED
4FRR
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BU of 4frr by Molmil
X-ray structure of Acetylcholine binding protein from Aplysia californica in presence of 3-((S)-azetidin-2-ylmethoxy)-5-((1S,2R)-2-(2-methoxyethyl)cyclopropyl)pyridine
分子名称: 3-[(2S)-azetidin-2-ylmethoxy]-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine, GLYCEROL, Soluble acetylcholine receptor
著者Mukhopadhyay, S, Mesecar, A.D.
登録日2012-06-26
公開日2013-10-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray structure of Acetylcholine binding protein from Aplysia californica in presence of 3-((S)-azetidin-2-ylmethoxy)-5-((1S,2R)-2-(2-methoxyethyl)cyclopropyl)pyridine
To be Published
4Q85
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YcaO with Non-hydrolyzable ATP (AMPCPP) Bound
分子名称: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, Ribosomal protein S12 methylthiotransferase accessory factor YcaO
著者Chekan, J.R, Nair, S.K.
登録日2014-04-25
公開日2014-08-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Discovery of a new ATP-binding motif involved in peptidic azoline biosynthesis.
Nat.Chem.Biol., 10, 2014
4G2C
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BU of 4g2c by Molmil
DyP2 from Amycolatopsis sp. ATCC 39116
分子名称: ACETATE ION, DyP2, MANGANESE (II) ION, ...
著者Brown, M.E, Barros, T, Chang, M.C.Y.
登録日2012-07-11
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification and characterization of a multifunctional dye peroxidase from a lignin-reactive bacterium.
Acs Chem.Biol., 7, 2012
4FVL
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BU of 4fvl by Molmil
Human collagenase 3 (MMP-13) full form with peptides from pro-domain
分子名称: CALCIUM ION, CHLORIDE ION, Collagenase 3, ...
著者Stura, E.A, Vera, L, Visse, R, Nagase, H, Dive, V.
登録日2012-06-29
公開日2013-08-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.436 Å)
主引用文献Crystal structure of full-length human collagenase 3 (MMP-13) with peptides in the active site defines exosites in the catalytic domain.
Faseb J., 27, 2013
4EVU
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BU of 4evu by Molmil
Crystal structure of C-terminal domain of putative periplasmic protein ydgH from S. enterica
分子名称: CHLORIDE ION, Putative periplasmic protein ydgH, SULFATE ION
著者Michalska, K, Cui, H, Xu, X, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Savchenko, A, Adkins, J.N, Joachimiak, A, Program for the Characterization of Secreted Effector Proteins (PCSEP), Midwest Center for Structural Genomics (MCSG)
登録日2012-04-26
公開日2012-05-30
最終更新日2014-07-30
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
4E8K
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BU of 4e8k by Molmil
Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Ca2+ and a non-hydrolyzed oligonucleotide substrate
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-R(*CP*G*AP*UP*UP*UP*AP*UP*UP*A)-3', CALCIUM ION, ...
著者Marcia, M, Pyle, A.M.
登録日2012-03-20
公開日2012-11-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Visualizing Group II Intron Catalysis through the Stages of Splicing.
Cell(Cambridge,Mass.), 151, 2012
4QEY
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BU of 4qey by Molmil
Crystal structure of a DUF4425 family protein (BACOVA_05332) from Bacteroides ovatus ATCC 8483 at 2.52 A resolution
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2014-05-19
公開日2014-07-16
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Crystal structure of a hypothetical protein (BACOVA_05332) from Bacteroides ovatus ATCC 8483 at 2.52 A resolution
To be published
4EYA
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BU of 4eya by Molmil
Crystal Structure of a Plectonemic RNA Supercoil
分子名称: GLYCEROL, N utilization substance protein B homolog, RNA (5'-R(*GP*GP*CP*UP*CP*CP*UP*UP*GP*GP*CP*A)-3'), ...
著者Stagno, J.R, Ji, X.
登録日2012-05-01
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of a plectonemic RNA supercoil.
Nat Commun, 3, 2012
4MY9
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BU of 4my9 by Molmil
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor C91
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, MALONATE ION, ...
著者Kim, Y, Makowska-Grzyska, M, Gu, M, Gorla, S.K, Hedstrom, L, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2013-09-27
公開日2014-06-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5893 Å)
主引用文献Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor C91
To be Published
4E8M
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Structure of Oceanobacillus iheyensis group II intron in a ligand-free state in the presence of K+ and Mg2+
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Group IIC intron, MAGNESIUM ION, ...
著者Marcia, M, Pyle, A.M.
登録日2012-03-20
公開日2012-11-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Visualizing Group II Intron Catalysis through the Stages of Splicing.
Cell(Cambridge,Mass.), 151, 2012
4EIL
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BU of 4eil by Molmil
Crystal Structure of the loop truncated Toxoplasma gondii TS-DHFR
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
著者Sharma, H.
登録日2012-04-05
公開日2013-10-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1971 Å)
主引用文献First Three-Dimensional Structure of Toxoplasma gondii Thymidylate Synthase-Dihydrofolate Reductase: Insights for Catalysis, Interdomain Interactions, and Substrate Channeling.
Biochemistry, 52, 2013
4MTL
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BU of 4mtl by Molmil
Human Methyltransferase-Like Protein 21C
分子名称: Protein-lysine methyltransferase METTL21C, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION
著者Hong, B.S, Tempel, W, Dong, A, Li, Y, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2013-09-19
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Human Methyltransferase-Like Protein 21C
To be Published
4EU2
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BU of 4eu2 by Molmil
Crystal structure of 20s proteasome with novel inhibitor K-7174
分子名称: 1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane, Proteasome component C1, Proteasome component C11, ...
著者Kikuchi, J, Shibayama, N, Yamada, S, Wada, T, Nobuyoshi, M, Izumi, T, Akutsu, M, Kano, Y, Ohki, M, Sugiyama, K, Park, S.-Y, Furukawa, Y.
登録日2012-04-25
公開日2013-05-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.509 Å)
主引用文献Homopiperazine derivatives as a novel class of proteasome inhibitors with a unique mode of proteasome binding.
Plos One, 8, 2013
4EI2
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Crystal Structures of MthK RCK gating ring bound to Barium
分子名称: BARIUM ION, Calcium-gated potassium channel mthK
著者Smith, F.J, Cingolani, G, Rothberg, B.S.
登録日2012-04-04
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.108 Å)
主引用文献Crystal Structure of a Ba(2+)-Bound Gating Ring Reveals Elementary Steps in RCK Domain Activation.
Structure, 20, 2012
4ELH
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Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase
分子名称: (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-y l]prop-2-en-1-one, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(2-methylprop-1-en-1-yl)phthalazin-2(1H)-y l]prop-2-en-1-one, CALCIUM ION, ...
著者Bourne, C.R, Barrow, W.W.
登録日2012-04-10
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
Biochim.Biophys.Acta, 1834, 2013
4O5B
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BU of 4o5b by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid
分子名称: (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
著者Feng, L, Kvaratskhelia, M.
登録日2013-12-19
公開日2014-07-02
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase.
Plos Pathog., 10, 2014

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