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3EIO
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BU of 3eio by Molmil
Crystal Structure Analysis of DPPIV 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, 4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepan-1-yl}carbonyl)benzoic acid, ...
著者Ahn, J.H, Lee, J.-O.
登録日2008-09-17
公開日2008-11-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis and biological evaluation of homopiperazine derivatives with beta-aminoacyl group as dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3FX7
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BU of 3fx7 by Molmil
Crystal structure of hypothetical protein of HP0062 from Helicobacter pylori
分子名称: Putative uncharacterized protein
著者Kwon, A.R.
登録日2009-01-20
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structure of Hypothetical Protein HP0062 (O24902_HELPY) from Helicobacter pylori at 1.65 A Resolution.
J.Biochem., 2009
4BTF
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BU of 4btf by Molmil
Structure of MLKL
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, MIXED LINEAGE KINASE DOMAIN-LIKE PROTEIN
著者Czabotar, P.E, Murphy, J.M.
登録日2013-06-16
公開日2013-09-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献The Pseudokinase Mlkl Mediates Necroptosis Via a Molecular Switch Mechanism
Immunity, 39, 2013
4DPZ
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BU of 4dpz by Molmil
Crystal structure of human HRASLS2
分子名称: HRAS-like suppressor 2
著者Kiser, P.D, Golczak, M, Sears, A.E, Lodowski, D.T, Palczewski, K.
登録日2012-02-14
公開日2012-05-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural Basis for the Acyltransferase Activity of Lecithin:Retinol Acyltransferase-like Proteins.
J.Biol.Chem., 287, 2012
4DOT
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BU of 4dot by Molmil
Crystal structure of human HRASLS3.
分子名称: Group XVI phospholipase A2
著者Kiser, P.D, Golczak, M, Sears, A.E, Lodowski, D.T, Palczewski, K.
登録日2012-02-10
公開日2012-05-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural Basis for the Acyltransferase Activity of Lecithin:Retinol Acyltransferase-like Proteins.
J.Biol.Chem., 287, 2012
4DNN
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BU of 4dnn by Molmil
Crystal structure of the Quaking Qua1 homodimerization domain
分子名称: CALCIUM ION, Protein quaking
著者Beuck, C, Qu, S, Williamson, J.R.
登録日2012-02-08
公開日2012-09-12
最終更新日2012-10-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Analysis of the Quaking Homodimerization Interface.
J.Mol.Biol., 423, 2012
4EHZ
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BU of 4ehz by Molmil
The Jak1 kinase domain in complex with inhibitor
分子名称: 1,2-ETHANEDIOL, 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Steffek, M.
登録日2012-04-04
公開日2012-07-04
最終更新日2013-01-23
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
J.Med.Chem., 55, 2012
4EI4
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BU of 4ei4 by Molmil
JAK1 kinase (JH1 domain) in complex with compound 20
分子名称: (1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol, Tyrosine-protein kinase JAK1
著者Eigenbrot, C, Steffek, M.
登録日2012-04-04
公開日2012-07-04
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
J.Med.Chem., 55, 2012
5MQO
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BU of 5mqo by Molmil
Glycoside hydrolase BT_1003
分子名称: Non-reducing end beta-L-arabinofuranosidase
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2016-12-20
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MQS
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BU of 5mqs by Molmil
Sialidase BT_1020
分子名称: Beta-L-arabinobiosidase, CALCIUM ION, SODIUM ION, ...
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2016-12-20
公開日2017-03-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MQR
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BU of 5mqr by Molmil
Sialidase BT_1020
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-L-arabinobiosidase, ...
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2016-12-20
公開日2017-03-22
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MQP
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BU of 5mqp by Molmil
Glycoside hydrolase BT_1002
分子名称: CALCIUM ION, Glycoside hydrolase BT_1002
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2016-12-20
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The most complex carbohydrate known is degraded in the human gut by single organisms and not bacterial consortia
To Be Published
5MT2
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BU of 5mt2 by Molmil
Glycoside hydrolase BT_0996
分子名称: Beta-galactosidase, GLYCEROL
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2017-01-06
公開日2017-03-22
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MUJ
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BU of 5muj by Molmil
BT0996 RGII Chain B Complex
分子名称: ACETATE ION, Beta-galactosidase, alpha-L-rhamnopyranose-(1-2)-[alpha-L-rhamnopyranose-(1-3)]alpha-L-arabinopyranose-(1-4)-[4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose-(1-2)]beta-D-galactopyranose-(1-2)-alpha-D-aceric acid-(1-4)-alpha-L-rhamnopyranose-(1-3)-3-C-(hydroxylmethyl)-alpha-D-erythrofuranose
著者Cartmell, A, Basle, A, Ndeh, D, Luis, A.S, Venditto, I, Labourel, A, Rogowski, A, Gilbert, H.J.
登録日2017-01-13
公開日2017-04-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
7T4J
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BU of 7t4j by Molmil
Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ...
著者Skene, R.J, Lane, W, Hu, Y.
登録日2021-12-10
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
7T4I
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BU of 7t4i by Molmil
Crystal Structure of wild type EGFR in complex with TAK-788
分子名称: Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
著者Skene, R.J, Lane, W.
登録日2021-12-10
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
5MSX
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BU of 5msx by Molmil
Glycoside hydrolase BT_3662
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2017-01-06
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MUI
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BU of 5mui by Molmil
Glycoside hydrolase BT_0996
分子名称: Beta-galactosidase, beta-L-arabinofuranose-(1-2)-alpha-L-rhamnopyranose-(1-2)-[alpha-L-rhamnopyranose-(1-3)]alpha-L-arabinopyranose-(1-4)-[4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose-(1-2)]beta-D-galactopyranose-(1-2)-alpha-D-aceric acid-(1-3)-alpha-L-rhamnopyranose
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2017-01-13
公開日2017-03-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MWK
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BU of 5mwk by Molmil
Glycoside hydrolase BT_0986
分子名称: BROMIDE ION, CALCIUM ION, Glycoside hydrolase family 2, ...
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2017-01-18
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
7TTV
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BU of 7ttv by Molmil
E.coli DsbA in complex with 4-phenyl-2-(3-phenylpropyl)thiazole-5-carboxylic acid
分子名称: 4-phenyl-2-(3-phenylpropyl)-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
著者Wang, G, Heras, B.
登録日2022-02-02
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Methyl probes in proteins for determining ligand binding mode in weak protein-ligand complexes.
Sci Rep, 12, 2022
1HDB
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BU of 1hdb by Molmil
ANALYSIS OF THE CRYSTAL STRUCTURE, MOLECULAR MODELING AND INFRARED SPECTROSCOPY OF THE DISTAL BETA-HEME POCKET VALINE67(E11)-THREONINE MUTATION OF HEMOGLOBIN
分子名称: HEMOGLOBIN (DEOXY) BETA-V67T, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Pechik, I, Ji, X, Fronticelli, C, Gilliland, G.L.
登録日1995-04-14
公開日1996-04-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic, molecular modeling, and biophysical characterization of the valine beta 67 (E11)-->threonine variant of hemoglobin.
Biochemistry, 35, 1996
5MSY
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BU of 5msy by Molmil
Glycoside hydrolase BT_1012
分子名称: AMMONIA, Glycoside hydrolase, PHOSPHATE ION
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2017-01-06
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MQM
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Glycoside hydrolase BT_0986
分子名称: CALCIUM ION, D-rhamnopyranose tetrazole, Glycosyl hydrolases family 2, ...
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2016-12-20
公開日2017-03-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MQN
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Glycoside hydrolase BT_0986
分子名称: CALCIUM ION, Glycosyl hydrolases family 2, sugar binding domain
著者Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
登録日2016-12-20
公開日2017-03-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
3UEY
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Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase Cdelta
分子名称: PHOSPHATE ION, Protein kinase C delta type, ZINC ION
著者Shanmugasundararaj, S, Stehle, T, Miller, K.W.
登録日2011-10-31
公開日2012-12-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.301 Å)
主引用文献Structural and Functional Characterization of an Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase Cdelta
Biophys.J., 103, 2012

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