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4ND3
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BU of 4nd3 by Molmil
Crystal structure of the lactate dehydrogenase from cryptosporidium parvum complexed with substrate (l-lactic acid) and cofactor (b-nicotinamide adenine dinucleotide)
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, GLYCEROL, Lactate dehydrogenase, ...
著者Chattopadhyay, D, Cook, W.J.
登録日2013-10-25
公開日2014-12-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Biochemical and structural characterization of Cryptosporidium parvum Lactate dehydrogenase.
Int.J.Biol.Macromol., 74C, 2014
4QDH
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BU of 4qdh by Molmil
Crystal Structure of the C-terminal Domain of Mouse TLR9
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Variable lymphocyte receptor B, ...
著者Collins, B.C, Wilson, I.A.
登録日2014-05-13
公開日2014-06-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Crystal structure of the C-terminal domain of mouse TLR9.
Proteins, 82, 2014
6FVE
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BU of 6fve by Molmil
Macrophage Migration Inhibitory Factor (MIF) with Covalently Bound FITC
分子名称: 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(E)-(sulfanylmethylidene)amino]benzoic acid, Macrophage migration inhibitory factor, SULFATE ION
著者Samygina, V.R, Bourenkov, G, Sokolov, A.V.
登録日2018-03-02
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structural Study of the Complex Formed by Ceruloplasmin and Macrophage Migration Inhibitory Factor.
Biochemistry Mosc., 83, 2018
7CWE
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BU of 7cwe by Molmil
Human Fructose-1,6-bisphosphatase 1 in APO R-state
分子名称: Fructose-1,6-bisphosphatase 1, MAGNESIUM ION
著者Chen, Y, Zhang, J, Li, C, Cao, Y.
登録日2020-08-28
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Human Fructose-1,6-bisphosphatase 1 in APO R-state
To Be Published
7CVH
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BU of 7cvh by Molmil
Human Fructose-1,6-bisphosphatase 1 in complex with geranylgeranyl diphosphate
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
著者Chen, Y, Zhang, J, Li, C, Cao, Y.
登録日2020-08-26
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The structural basis for GGPP activation on the enzymatic activities FBP1
To Be Published
6N7O
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BU of 6n7o by Molmil
Crystal structure of GIL01 gp7
分子名称: GIL01 gp7, IODIDE ION
著者Caveney, N.A, Strynadka, N.C.J.
登録日2018-11-27
公開日2019-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Insights into Bacteriophage GIL01 gp7 Inhibition of Host LexA Repressor.
Structure, 27, 2019
6G2I
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BU of 6g2i by Molmil
Filament of acetyl-CoA carboxylase and BRCT domains of BRCA1 (ACC-BRCT) at 5.9 A resolution
分子名称: Acetyl-CoA carboxylase 1, Breast cancer type 1 susceptibility protein
著者Hunkeler, M, Hagmann, A, Stuttfeld, E, Chami, M, Stahlberg, H, Maier, T.
登録日2018-03-23
公開日2018-06-13
最終更新日2019-12-11
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Structural basis for regulation of human acetyl-CoA carboxylase.
Nature, 558, 2018
4QBO
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VRR_NUC domain
分子名称: MAGNESIUM ION, Nuclease
著者Smerdon, S.J, Pennell, S, Li, J.
登録日2014-05-08
公開日2014-09-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献FAN1 activity on asymmetric repair intermediates is mediated by an atypical monomeric virus-type replication-repair nuclease domain.
Cell Rep, 8, 2014
6J5S
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BU of 6j5s by Molmil
Crystal structure of human HINT1 mutant complexing with AP5A
分子名称: BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ETHANESULFONIC ACID, Histidine triad nucleotide-binding protein 1
著者Wang, J, Fang, P, Guo, M.
登録日2019-01-11
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
4NXJ
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Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum
分子名称: Bromodomain protein
著者Wernimont, A.K, Loppnau, P, Knapp, S, Fonseca, M, Brennan, P.E, Dong, A, Walker, J.R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, Structural Genomics Consortium (SGC)
登録日2013-12-09
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structure of PF3D7_1475600, a bromodomain from Plasmodium Falciparum
TO BE PUBLISHED
4ND1
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BU of 4nd1 by Molmil
Crystal structure of the lactate dehydrogenase from cryptosporidium parvum complexed with cofactor (b-nicotinamide adenine dinucleotide) and inhibitor (oxamic acid)
分子名称: GLYCEROL, Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase, ...
著者Chattopadhyay, D, Cook, W.J.
登録日2013-10-25
公開日2014-12-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Biochemical and structural characterization of Cryptosporidium parvum Lactate dehydrogenase.
Int.J.Biol.Macromol., 74C, 2014
6LRI
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BU of 6lri by Molmil
Human cGAS catalytic domain bound with compound 17
分子名称: 3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid, Cyclic GMP-AMP synthase, ZINC ION
著者Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
登録日2020-01-16
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
4ND2
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BU of 4nd2 by Molmil
Crystal structure of the lactate dehydrogenase from cryptosporidium parvum complexed with substrate (pyruvic acid) and cofactor analog (3-acetylpyridine adenine dinucleotide)
分子名称: 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE, GLYCEROL, Lactate dehydrogenase, ...
著者Chattopadhyay, D, Cook, W.J.
登録日2013-10-25
公開日2014-12-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biochemical and structural characterization of Cryptosporidium parvum Lactate dehydrogenase.
Int.J.Biol.Macromol., 74C, 2014
6J53
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BU of 6j53 by Molmil
Crystal structure of human HINT1 complexing with ATP
分子名称: ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
著者Wang, J, Fang, P, Guo, M.
登録日2019-01-10
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
6J58
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BU of 6j58 by Molmil
Crystal structure of human HINT1 complexing with AP4A
分子名称: ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
著者Wang, J, Fang, P, Guo, M.
登録日2019-01-10
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.521 Å)
主引用文献Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
6FNA
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BU of 6fna by Molmil
Mono- and bivalent 14-3-3 inhibitors for characterizing supramolecular lysine-PEG interactions in proteins
分子名称: 14-3-3 protein zeta/delta, BENZOIC ACID, CALCIUM ION, ...
著者Bier, D, Ottmann, C.
登録日2018-02-02
公開日2018-07-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Mono- and Bivalent 14-3-3 Inhibitors for Characterizing Supramolecular "Lysine Wrapping" of Oligoethylene Glycol (OEG) Moieties in Proteins.
Chemistry, 24, 2018
1X7J
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BU of 1x7j by Molmil
CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH GENISTEIN
分子名称: Estrogen receptor beta, GENISTEIN, STEROID RECEPTOR COACTIVATOR-1
著者Manas, E.S, Xu, Z.B, Unwalla, R.J, Somers, W.S.
登録日2004-08-14
公開日2005-03-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Understanding the Selectivity of Genistein for Human Estrogen Receptor-Beta Using X-Ray Crystallography and Computational Methods
Structure, 12, 2004
5D1C
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BU of 5d1c by Molmil
Crystal structure of D233G-Y306F HDAC8 in complex with a tetrapeptide substrate
分子名称: GLYCEROL, HDAC8 Fluor de Lys tetrapeptide substrate, Histone deacetylase 8, ...
著者Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
登録日2015-08-04
公開日2015-10-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.422 Å)
主引用文献Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders.
Biochemistry, 54, 2015
6HA6
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BU of 6ha6 by Molmil
Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (220-246)
分子名称: GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, N-OXALYLGLYCINE, ...
著者Leissing, T.M, Clifton, I.J, Saward, B.G, Lu, X, Hopkinson, R.J, Schofield, C.J.
登録日2018-08-07
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPV3 (220-246)
To Be Published
8CHF
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BU of 8chf by Molmil
cryo-EM Structure of Craf:14-3-3:Mek1
分子名称: 14-3-3 protein zeta isoform X1, 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Dedden, D, Ulrich, G.
登録日2023-02-07
公開日2024-02-21
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (4.25 Å)
主引用文献Cryo-EM Structures of CRAF 2 /14-3-3 2 and CRAF 2 /14-3-3 2 /MEK1 2 Complexes.
J.Mol.Biol., 436, 2024
6LRE
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BU of 6lre by Molmil
Human cGAS catalytic domain bound with compound 3
分子名称: 1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
著者Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
登録日2020-01-16
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
6LRK
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BU of 6lrk by Molmil
Human cGAS catalytic domain bound with compound 40
分子名称: (3R)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
著者Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
登録日2020-01-16
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
4ME9
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BU of 4me9 by Molmil
Crystal structure of a transcriptional regulator, TetR family (BCE_2991) from Bacillus cereus ATCC 10987 at 2.50 A resolution
分子名称: CHLORIDE ION, PHOSPHATE ION, Transcriptional regulator, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2013-08-25
公開日2013-09-25
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a transcriptional regulator, TetR family (BCE_2991) from Bacillus cereus ATCC 10987 at 2.50 A resolution
To be published
6HI4
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BU of 6hi4 by Molmil
The ATAD2 bromodomain in complex with compound 7
分子名称: (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Sledz, P, Caflisch, A.
登録日2018-08-29
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
5DBK
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apo form of the quorum sensor NprR from B. thuringiensis
分子名称: Transcriptional regulator/TPR domain protein
著者Talagas, A, Perchat, S, Lereclus, D, Nessler, S.
登録日2015-08-21
公開日2016-07-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.241 Å)
主引用文献How Quorum Sensing Connects Sporulation to Necrotrophism in Bacillus thuringiensis.
Plos Pathog., 12, 2016

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件を2024-10-16に公開中

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