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3KBO
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BU of 3kbo by Molmil
2.14 Angstrom Crystal Structure of Putative Oxidoreductase (ycdW) from Salmonella typhimurium in Complex with NADP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Glyoxylate/hydroxypyruvate reductase A, ...
著者Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-10-20
公開日2009-10-27
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献2.14 Angstrom Crystal Structure of Putative Oxidoreductase (ycdW) from Salmonella typhimurium in Complex with NADP.
To be Published
4BJK
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BU of 4bjk by Molmil
CYP51 of Trypanosoma brucei bound to (S)-N-(3-(1H-indol-3-yl)-1-oxo-1- (pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4- carboxamide
分子名称: 3,3'-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide, LANOSTEROL 14-ALPHA-DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE
著者Podust, L.M.
登録日2013-04-18
公開日2013-09-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Rational Development of 4-Aminopyridyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51 as Anti-Chagas Agents.
J.Med.Chem., 56, 2013
3LD6
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Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with ketoconazole
分子名称: 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Lanosterol 14-alpha demethylase, ...
著者Strushkevich, N, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
登録日2010-01-12
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of human CYP51 inhibition by antifungal azoles.
J.Mol.Biol., 397, 2010
6KB5
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BU of 6kb5 by Molmil
X-ray structure of human PPARalpha ligand binding domain-5,8,11,14-eicosatetraynoic Acid (ETYA) co-crystals obtained by delipidation and cross-seeding
分子名称: GLYCEROL, Peroxisome proliferator-activated receptor alpha, icosa-5,8,11,14-tetraynoic acid
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2019-06-24
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
3JUV
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BU of 3juv by Molmil
Crystal structure of human lanosterol 14alpha-demethylase (CYP51)
分子名称: Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Strushkevich, N, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC)
登録日2009-09-15
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structural basis of human CYP51 inhibition by antifungal azoles.
J. Mol. Biol., 397, 2010
433D
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BU of 433d by Molmil
CRYSTAL STRUCTURE OF A 14 BASE PAIR RNA DUPLEX WITH NONSYMMETRICAL TANDEM G.U WOBBLE BASE PAIRS
分子名称: 5'-R(*GP*GP*UP*AP*UP*UP*GP*CP*GP*GP*UP*AP*CP*C)-3'
著者Trikha, J, Filman, D.J, Hogle, J.M.
登録日1998-10-22
公開日1998-12-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a 14 bp RNA duplex with non-symmetrical tandem GxU wobble base pairs.
Nucleic Acids Res., 27, 1999
8GW2
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BU of 8gw2 by Molmil
Escherichia Coli Heat Labile Enterotoxin Type IIB B-Pentamer Circular Permutant CP13-14
分子名称: Heat-labile enterotoxin IIB, B chain
著者Hsu, S.H, Yuan, Y.T, Sue, S.C.
登録日2022-09-16
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Escherichia Coli Heat Labile Enterotoxin Type IIB B-Pentamer Circular Permutant (CP13-14)
To Be Published
8JX3
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BU of 8jx3 by Molmil
alpha-Hemolysin(G122S/K147R/K237C)-SpyTag/SpyCatcher head to head 14-mer
分子名称: alpha hemolysin fused with spy-catcher, alpha hemolysin fused with spy-tag
著者Ishii, Y, Naito, K, Yokoyama, T, Tanaka, Y, Matsuura, T.
登録日2023-06-30
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献alpha-Hemolysin(G122S/K147R)-SpyTag/SpyCatcher head to head 14-mer
To Be Published
6KB0
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BU of 6kb0 by Molmil
X-ray structure of human PPARalpha ligand binding domain-5,8,11,14-eicosatetraynoic acid (ETYA) co-crystals obtained by soaking
分子名称: GLYCEROL, Peroxisome proliferator-activated receptor alpha, icosa-5,8,11,14-tetraynoic acid
著者Kamata, S, Suda, K, Saito, K, Oyama, T, Ishii, I.
登録日2019-06-24
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
1OX7
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BU of 1ox7 by Molmil
Crystal structure of yeast cytosine deaminase apo-enzyme: inorganic zinc bound
分子名称: CALCIUM ION, Cytosine deaminase, ZINC ION
著者Ireton, G.C, Black, M.E, Stoddard, B.L.
登録日2003-04-01
公開日2003-08-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献The 1.14 a crystal structure of yeast Cytosine deaminase. Evolution of nucleotide salvage enzymes and implications for genetic chemotherapy.
Structure, 11, 2003
3UI6
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BU of 3ui6 by Molmil
0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT
分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ...
著者Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W.
登録日2011-11-04
公開日2012-11-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (0.89 Å)
主引用文献0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT
To be Published
5MV2
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BU of 5mv2 by Molmil
Crystal structure of the E protein of the Japanese encephalitis live attenuated vaccine virus
分子名称: E protein
著者Liu, X, Zhao, X, Na, R, Li, L, Warkentin, E, Witt, J, Lu, X, Wei, Y, Peng, G, Li, Y, Wang, J.
登録日2017-01-14
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure differences of Japanese encephalitis virus SA14 and SA14-14-2 E proteins elucidate the virulence attenuation mechanism.
Protein Cell, 10, 2019
6U2G
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BU of 6u2g by Molmil
BRAF-MEK complex with AMP-PCP bound to BRAF
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Liau, N.P.D, Wendorff, T, Hymowitz, S, Sudhamsu, J.
登録日2019-08-19
公開日2019-08-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.886 Å)
主引用文献Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization.
Nat.Struct.Mol.Biol., 27, 2020
6TWY
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BU of 6twy by Molmil
MAGI1_2 complexed with a phosphomimetic RSK1 peptide
分子名称: CALCIUM ION, CITRIC ACID, GLYCEROL, ...
著者Gogl, G, Cousido-Siah, A, Trave, G.
登録日2020-01-13
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
6TWU
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BU of 6twu by Molmil
MAGI1_2 complexed with a phosphomimetic 16E6 peptide
分子名称: CALCIUM ION, CITRIC ACID, GLYCEROL, ...
著者Gogl, G, Cousido-Siah, A, Trave, G.
登録日2020-01-13
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
6TWQ
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BU of 6twq by Molmil
MAGI1_2 complexed with a 16E6 peptide
分子名称: CALCIUM ION, CITRIC ACID, GLYCEROL, ...
著者Gogl, G, Cousido-Siah, A, Trave, G.
登録日2020-01-13
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
6UN3
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BU of 6un3 by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with ticarcillin
分子名称: (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CALCIUM ION, GLYCEROL, ...
著者Sacco, M, Chen, Y.
登録日2019-10-10
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
6UN1
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BU of 6un1 by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with temocillin
分子名称: (2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4 -carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI
著者Sacco, M, Chen, Y.
登録日2019-10-10
公開日2019-10-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Influence of the alpha-Methoxy Group on the Reaction of Temocillin with Pseudomonas aeruginosa PBP3 and CTX-M-14 beta-Lactamase.
Antimicrob.Agents Chemother., 64, 2019
7XMS
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BU of 7xms by Molmil
CryoEM structure of somatostatin receptor 4 (SSTR4) in complex with Gi1 and its endogeneous ligand SST-14
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
登録日2022-04-26
公開日2022-08-03
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7XMR
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BU of 7xmr by Molmil
CryoEM structure of the somatostatin receptor 2 (SSTR2) in complex with Gi1 and its endogeneous peptide ligand SST-14
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
登録日2022-04-26
公開日2022-08-03
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
5O2D
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PARP14 Macrodomain 2 with inhibitor
分子名称: Poly [ADP-ribose] polymerase 14, ~{N}-[2-(9~{H}-carbazol-1-yl)phenyl]methanesulfonamide
著者Uth, K, Schuller, M, Sieg, C, Wang, J, Krojer, T, Knapp, S, Riedels, K, Bracher, F, Edwards, A.M, Arrowsmith, C, Bountra, C, Elkins, J.M, Structural Genomics Consortium (SGC)
登録日2017-05-20
公開日2017-11-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of a Selective Allosteric Inhibitor Targeting Macrodomain 2 of Polyadenosine-Diphosphate-Ribose Polymerase 14.
ACS Chem. Biol., 12, 2017
6WF2
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Crystal structure of mouse SCD1 with a diiron center
分子名称: Acyl-CoA desaturase 1, FE (III) ION, S-{(3R,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-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name)
著者Shen, J, Zhou, M.
登録日2020-04-03
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Structure and Mechanism of a Unique Diiron Center in Mammalian Stearoyl-CoA Desaturase.
J.Mol.Biol., 432, 2020
7UWP
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Detergent-bound CYP51 from Acanthamoeba castellanii
分子名称: DODECYL-BETA-D-MALTOSIDE, PROTOPORPHYRIN IX CONTAINING FE, sterol 14a-demethylase
著者Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
登録日2022-05-03
公開日2023-04-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification of Potent and Selective Inhibitors of Acanthamoeba: Structural Insights into Sterol 14-Demethylase as a Key Drug Target
J.Med.Chem., 2024
6TWX
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MAGI1_2 complexed with a phosphorylated 16E6 peptide
分子名称: 16E6 peptide, CALCIUM ION, CITRIC ACID, ...
著者Gogl, G, Cousido-Siah, A, Trave, G.
登録日2020-01-13
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Dual Specificity PDZ- and 14-3-3-Binding Motifs: A Structural and Interactomics Study.
Structure, 28, 2020
7UR6
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Cryo-EM structure of SHIV-elicited, FP-directed Rhesus Fab RM6561.DH1021.14 in complex with stabilized HIV-1 Env Ce1176 DS-SOSIP.664
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, Heavy Chain, ...
著者Gorman, J, Kwong, P.D.
登録日2022-04-21
公開日2023-04-26
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Cryo-EM structure of SHIV-elicited, FP-directed Rhesus Fab RM6561.DH1021.14 in complex with stabilized HIV-1 Env Ce1176 DS-SOSIP.664
To Be Published

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件を2024-08-07に公開中

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