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3EIO
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BU of 3eio by Molmil
Crystal Structure Analysis of DPPIV Inhibitor
Descriptor: 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, ...
Authors:Ahn, J.H, Lee, J.-O.
Deposit date:2008-09-17
Release date:2008-11-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Putative uncharacterized protein
Authors:Kwon, A.R.
Deposit date:2009-01-20
Release date:2009-09-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, MIXED LINEAGE KINASE DOMAIN-LIKE PROTEIN
Authors:Czabotar, P.E, Murphy, J.M.
Deposit date:2013-06-16
Release date:2013-09-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.604 Å)
Cite: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
Descriptor: HRAS-like suppressor 2
Authors:Kiser, P.D, Golczak, M, Sears, A.E, Lodowski, D.T, Palczewski, K.
Deposit date:2012-02-14
Release date:2012-05-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite: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.
Descriptor: Group XVI phospholipase A2
Authors:Kiser, P.D, Golczak, M, Sears, A.E, Lodowski, D.T, Palczewski, K.
Deposit date:2012-02-10
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.96 Å)
Cite: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
Descriptor: CALCIUM ION, Protein quaking
Authors:Beuck, C, Qu, S, Williamson, J.R.
Deposit date:2012-02-08
Release date:2012-09-12
Last modified:2012-10-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Steffek, M.
Deposit date:2012-04-04
Release date:2012-07-04
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (2.174 Å)
Cite: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
Descriptor: (1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol, Tyrosine-protein kinase JAK1
Authors:Eigenbrot, C, Steffek, M.
Deposit date:2012-04-04
Release date:2012-07-04
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.22 Å)
Cite: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
Descriptor: Non-reducing end beta-L-arabinofuranosidase
Authors:Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
Deposit date:2016-12-20
Release date:2017-03-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: Beta-L-arabinobiosidase, CALCIUM ION, SODIUM ION, ...
Authors:Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
Deposit date:2016-12-20
Release date:2017-03-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-L-arabinobiosidase, ...
Authors:Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
Deposit date:2016-12-20
Release date:2017-03-22
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: CALCIUM ION, Glycoside hydrolase BT_1002
Authors:Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
Deposit date:2016-12-20
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Beta-galactosidase, GLYCEROL
Authors:Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
Deposit date:2017-01-06
Release date:2017-03-22
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.41 Å)
Cite: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
Descriptor: 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
Authors:Cartmell, A, Basle, A, Ndeh, D, Luis, A.S, Venditto, I, Labourel, A, Rogowski, A, Gilbert, H.J.
Deposit date:2017-01-13
Release date:2017-04-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.37 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ...
Authors:Skene, R.J, Lane, W, Hu, Y.
Deposit date:2021-12-10
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 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
Authors:Skene, R.J, Lane, W.
Deposit date:2021-12-10
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.61 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
Deposit date:2017-01-06
Release date:2017-03-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 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
Authors:Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
Deposit date:2017-01-13
Release date:2017-03-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.77 Å)
Cite: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
Descriptor: BROMIDE ION, CALCIUM ION, Glycoside hydrolase family 2, ...
Authors:Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
Deposit date:2017-01-18
Release date:2017-03-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 4-phenyl-2-(3-phenylpropyl)-1,3-thiazole-5-carboxylic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
Authors:Wang, G, Heras, B.
Deposit date:2022-02-02
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite: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
Descriptor: HEMOGLOBIN (DEOXY) BETA-V67T, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Pechik, I, Ji, X, Fronticelli, C, Gilliland, G.L.
Deposit date:1995-04-14
Release date:1996-04-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: AMMONIA, Glycoside hydrolase, PHOSPHATE ION
Authors:Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
Deposit date:2017-01-06
Release date:2017-03-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MQM
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BU of 5mqm by Molmil
Glycoside hydrolase BT_0986
Descriptor: CALCIUM ION, D-rhamnopyranose tetrazole, Glycosyl hydrolases family 2, ...
Authors:Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
Deposit date:2016-12-20
Release date:2017-03-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
5MQN
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BU of 5mqn by Molmil
Glycoside hydrolase BT_0986
Descriptor: CALCIUM ION, Glycosyl hydrolases family 2, sugar binding domain
Authors:Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
Deposit date:2016-12-20
Release date:2017-03-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
3UEY
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BU of 3uey by Molmil
Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase Cdelta
Descriptor: PHOSPHATE ION, Protein kinase C delta type, ZINC ION
Authors:Shanmugasundararaj, S, Stehle, T, Miller, K.W.
Deposit date:2011-10-31
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Structural and Functional Characterization of an Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase Cdelta
Biophys.J., 103, 2012

221051

数据于2024-06-12公开中

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