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3LN2
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BU of 3ln2 by Molmil
Crystal Structure of a Charge Engineered Human Lysozyme Variant
分子名称: Lysozyme C
著者Gill, A, Scanlon, T.C, Griswold, K.E.
登録日2010-02-01
公開日2011-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.037 Å)
主引用文献Crystal structure of a charge engineered human lysozyme having enhanced bactericidal activity.
Plos One, 6, 2011
3EN3
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BU of 3en3 by Molmil
Crystal Structure of the GluR4 Ligand-Binding domain in complex with kainate
分子名称: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 4,Glutamate receptor
著者Gill, A, Madden, D.R.
登録日2008-09-25
公開日2009-05-19
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Correlating AMPA receptor activation and cleft closure across subunits: crystal structures of the GluR4 ligand-binding domain in complex with full and partial agonists
Biochemistry, 47, 2008
3EPE
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BU of 3epe by Molmil
Crystal Structure of the GluR4 Ligand-Binding domain in complex with glutamate
分子名称: GLUTAMIC ACID, Glutamate receptor 4,Glutamate receptor
著者Gill, A, Madden, D.R.
登録日2008-09-29
公開日2009-05-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Correlating AMPA receptor activation and cleft closure across subunits: crystal structures of the GluR4 ligand-binding domain in complex with full and partial agonists
Biochemistry, 47, 2008
3KEI
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BU of 3kei by Molmil
Crystal Structure of the GluA4 Ligand-Binding domain L651V mutant in complex with glutamate
分子名称: GLUTAMIC ACID, Glutamate receptor 4
著者Gill, A, Madden, D.R.
登録日2009-10-26
公開日2010-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Enhanced efficacy without further cleft closure: reevaluating twist as a source of agonist efficacy in AMPA receptors.
J.Neurosci., 30, 2010
3KFM
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BU of 3kfm by Molmil
Crystal Structure of the GluA4 Ligand-Binding domain L651V mutant in complex with kainate
分子名称: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 4
著者Gill, A, Madden, D.R.
登録日2009-10-27
公開日2010-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enhanced efficacy without further cleft closure: reevaluating twist as a source of agonist efficacy in AMPA receptors.
J.Neurosci., 30, 2010
7LBE
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BU of 7lbe by Molmil
CryoEM structure of the HCMV Trimer gHgLgO in complex with neutralizing fabs 13H11 and MSL-109
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, Envelope glycoprotein H, ...
著者Kschonsak, M, Rouge, L, Arthur, C.P, Hoangdung, H, Patel, N, Kim, I, Johnson, M, Kraft, E, Rohou, A.L, Gill, A, Martinez-Martin, N, Payandeh, J, Ciferri, C.
登録日2021-01-07
公開日2021-03-10
最終更新日2021-03-17
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structures of HCMV Trimer reveal the basis for receptor recognition and cell entry.
Cell, 184, 2021
7LBG
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BU of 7lbg by Molmil
CryoEM structure of the HCMV Trimer gHgLgO in complex with human Transforming growth factor beta receptor type 3 and neutralizing fabs 13H11 and MSL-109
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, Envelope glycoprotein H, ...
著者Kschonsak, M, Rouge, L, Arthur, C.P, Hoangdung, H, Patel, N, Kim, I, Johnson, M, Kraft, E, Rohou, A.L, Gill, A, Martinez-Martin, N, Payandeh, J, Ciferri, C.
登録日2021-01-07
公開日2021-03-10
最終更新日2021-03-17
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structures of HCMV Trimer reveal the basis for receptor recognition and cell entry.
Cell, 184, 2021
7LBF
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BU of 7lbf by Molmil
CryoEM structure of the HCMV Trimer gHgLgO in complex with human Platelet-derived growth factor receptor alpha and neutralizing fabs 13H11 and MSL-109
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, Envelope glycoprotein H, ...
著者Kschonsak, M, Rouge, L, Arthur, C.P, Hoangdung, H, Patel, N, Kim, I, Johnson, M, Kraft, E, Rohou, A.L, Gill, A, Martinez-Martin, N, Payandeh, J, Ciferri, C.
登録日2021-01-07
公開日2021-03-10
最終更新日2021-03-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structures of HCMV Trimer reveal the basis for receptor recognition and cell entry.
Cell, 184, 2021
1U0H
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BU of 1u0h by Molmil
STRUCTURAL BASIS FOR THE INHIBITION OF MAMMALIAN ADENYLYL CYCLASE BY MANT-GTP
分子名称: 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase, ...
著者Mou, T.C, Gille, A, Seifert, R.J, Sprang, S.R.
登録日2004-07-13
公開日2004-12-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for the inhibition of mammalian membrane adenylyl cyclase by 2 '(3')-O-(N-Methylanthraniloyl)-guanosine 5 '-triphosphate.
J.Biol.Chem., 280, 2005
1TL7
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BU of 1tl7 by Molmil
Complex Of Gs- With The Catalytic Domains Of Mammalian Adenylyl Cyclase: Complex With 2'(3')-O-(N-methylanthraniloyl)-guanosine 5'-triphosphate and Mn
分子名称: 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase, ...
著者Mou, T.C, Gille, A, Seifert, R.J, Sprang, S.R.
登録日2004-06-09
公開日2004-12-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for the inhibition of mammalian membrane adenylyl cyclase by 2 '(3')-O-(N-Methylanthraniloyl)-guanosine 5 '-triphosphate.
J.Biol.Chem., 280, 2005
1WBW
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BU of 1wbw by Molmil
Identification of novel p38 alpha MAP Kinase inhibitors using fragment-based lead generation.
分子名称: 3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE, MITOGEN-ACTIVATED PROTEIN KINASE 14
著者Tickle, J, Cleasby, A, Devine, L.A, Jhoti, H.
登録日2004-11-05
公開日2005-11-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation
J.Med.Chem., 48, 2005
1W82
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BU of 1w82 by Molmil
p38 Kinase crystal structure in complex with small molecule inhibitor
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-(4-CHLOROPHENYL)UREA
著者Tickle, J, Jhoti, H, Cleasby, A, Devine, L.
登録日2004-09-16
公開日2005-02-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation
J.Med.Chem., 48, 2005
8G0M
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BU of 8g0m by Molmil
Structure of complex between TV6.6 and CD98hc ECD
分子名称: 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, TETRAETHYLENE GLYCOL, ...
著者Kariolis, M.S, Lexa, K, Liau, N.P.D, Srivastava, D, Tran, H, Wells, R.C.
登録日2023-01-31
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献CD98hc is a target for brain delivery of biotherapeutics.
Nat Commun, 14, 2023
1W7H
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BU of 1w7h by Molmil
p38 Kinase crystal structure in complex with small molecule inhibitor
分子名称: 3-(BENZYLOXY)PYRIDIN-2-AMINE, MITOGEN-ACTIVATED PROTEIN KINASE 14
著者Jhoti, H, Gill, A, Cleasby, A, Devine, L.
登録日2004-09-02
公開日2005-02-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.214 Å)
主引用文献Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
5EPM
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BU of 5epm by Molmil
Ceratotoxin variant in complex with specific antibody Fab fragment
分子名称: Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, Beta-theraphotoxin-Cm1a
著者Strop, P, Shcherbatko, A, Rossi, A.
登録日2015-11-11
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Engineering Highly Potent and Selective Microproteins against Nav1.7 Sodium Channel for Treatment of Pain.
J.Biol.Chem., 291, 2016
4UNR
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BU of 4unr by Molmil
Mtb TMK in complex with compound 23
分子名称: 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNN
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BU of 4unn by Molmil
Mtb TMK in complex with compound 8
分子名称: 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-29
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNP
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BU of 4unp by Molmil
Mtb TMK in complex with compound 34
分子名称: 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-01-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNQ
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BU of 4unq by Molmil
Mtb TMK in complex with compound 36
分子名称: 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNS
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BU of 4uns by Molmil
Mtb TMK in complex with compound 40
分子名称: N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4J0R
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BU of 4j0r by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
分子名称: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4, ...
著者Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-01-31
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.
J.Med.Chem., 56, 2013
4J0S
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BU of 4j0s by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
分子名称: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(S)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-01-31
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.
J.Med.Chem., 56, 2013
1WBO
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BU of 1wbo by Molmil
fragment based p38 inhibitors
分子名称: 2-CHLOROPHENOL, MITOGEN-ACTIVATED PROTEIN KINASE 14
著者Cleasby, A, Devine, L, Gill, A, Jhoti, H.
登録日2004-11-04
公開日2005-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
6THS
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BU of 6ths by Molmil
High resolution crystal structure of Leaf-branch cutinase S165A variant
分子名称: 1,4-DIETHYLENE DIOXIDE, LCC
著者Nomme, J.
登録日2019-11-21
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献An engineered PET depolymerase to break down and recycle plastic bottles.
Nature, 580, 2020
6THT
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BU of 6tht by Molmil
High resolution crystal structure of a Leaf-branch compost cutinase quintuple variant
分子名称: CITRIC ACID, GLYCEROL, IMIDAZOLE, ...
著者Nomme, J.
登録日2019-11-21
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献An engineered PET depolymerase to break down and recycle plastic bottles.
Nature, 580, 2020

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