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5L0B
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BU of 5l0b by Molmil
Crystal Structure of Autotaxin and Compound 1
分子名称: 1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}ethan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Durbin, J.D.
登録日2016-07-27
公開日2016-08-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
5L0E
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BU of 5l0e by Molmil
Crystal Structure of Autotaxin and Compound 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(3-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl}propanoyl)-1,3-benzoxazol-2(3H)-one, CHLORIDE ION, ...
著者Durbin, J.D.
登録日2016-07-27
公開日2016-08-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.
Acs Med.Chem.Lett., 7, 2016
7TPS
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BU of 7tps by Molmil
Crystal structure of ALPN-202 (engineered CD80 vIgD) in complex with PD-L1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Demonte, D.W, Maurer, M.F, Akutsu, M, Kimbung, Y.R, Logan, D.T, Walse, B.
登録日2022-01-26
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献The engineered CD80 variant fusion therapeutic davoceticept combines checkpoint antagonism with conditional CD28 costimulation for anti-tumor immunity.
Nat Commun, 13, 2022
1OZ1
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BU of 1oz1 by Molmil
P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR
分子名称: 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL, Mitogen-activated protein kinase 14
著者Lovejoy, B, Villasenor, A, Browner, M, Dunten, P.
登録日2003-04-07
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase.
J.Med.Chem., 46, 2003
3Q16
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BU of 3q16 by Molmil
Linkage between the Bacterial Acid Stress and Stringent Responses: The Structure of the Inducible Lysine Decarboxylase
分子名称: Lysine decarboxylase, inducible
著者El Bakkouri, M, Pai, E.F, Houry, W.A.
登録日2010-12-16
公開日2011-02-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Linkage between the bacterial acid stress and stringent responses: the structure of the inducible lysine decarboxylase.
Embo J., 30, 2011
1XG6
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BU of 1xg6 by Molmil
The crystal structure of the P1 mutant (Leu to Arg)of a Winged bean chymotrypsin inhibitor(Kunitz)solved at 2.15A resolution
分子名称: Chymotrypsin inhibitor 3
著者Sen, U, Dattagupta, J.K, Dasgupta, J, Khamrui, S.
登録日2004-09-16
公開日2005-08-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Single mutation at P1 of a chymotrypsin inhibitor changes it to a trypsin inhibitor: X-ray structural (2.15 A) and biochemical basis
Biochim.Biophys.Acta, 1752, 2005
3DNB
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BU of 3dnb by Molmil
HELIX GEOMETRY, HYDRATION, AND G.A MISMATCH IN A B-DNA DECAMER
分子名称: DNA (5'-D(*CP*CP*AP*AP*GP*AP*TP*TP*GP*G)-3'), MAGNESIUM ION
著者Prive, G.G, Dickerson, R.E.
登録日1988-03-18
公開日1989-01-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of the B-DNA decamer C-C-A-A-C-G-T-T-G-G and comparison with isomorphous decamers C-C-A-A-G-A-T-T-G-G and C-C-A-G-G-C-C-T-G-G.
J.Mol.Biol., 217, 1991
2NPW
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BU of 2npw by Molmil
Solution Structures of a DNA Dodecamer Duplex with a Cisplatin 1,2-d(GG) Intrastrand Cross-Link
分子名称: 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', Cisplatin
著者Wu, Y, Bhattacharyya, D, Chaney, S, Campbell, S.
登録日2006-10-30
公開日2007-06-12
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
2NQ1
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BU of 2nq1 by Molmil
Solution Structures of a DNA Dodecamer Duplex
分子名称: 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3'
著者Bhattacharyya, D, Wu, Y, Chaney, S, Campbell, S.
登録日2006-10-30
公開日2007-06-12
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
2NQ4
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BU of 2nq4 by Molmil
Solution Structures of a DNA Dodecamer Duplex
分子名称: 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3'
著者Bhattacharyya, D, Wu, Y, Chaney, S, Campbell, S.
登録日2006-10-30
公開日2007-06-12
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
2NQ0
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BU of 2nq0 by Molmil
Solution Structures of a DNA Dodecamer Duplex with a Cisplatin 1,2-d(GG) Intrastrand Cross-Link
分子名称: 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', Cisplatin
著者Wu, Y, Bhattacharyya, D, Chaney, S, Campbell, S.
登録日2006-10-30
公開日2007-06-12
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
7MEM
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BU of 7mem by Molmil
CryoEM structure of monoclonal Fab 045-09 2B05 binding the lateral patch of influenza virus H1 HA
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 of monoclonal antibody 045-09 2B05, ...
著者Han, J, Ward, A.
登録日2021-04-06
公開日2021-07-28
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献First exposure to the pandemic H1N1 virus induced broadly neutralizing antibodies targeting hemagglutinin head epitopes.
Sci Transl Med, 13, 2021
2MD6
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BU of 2md6 by Molmil
NMR SOLUTION STRUCTURE OF ALPHA CONOTOXIN LO1A FROM Conus longurionis
分子名称: ALPHA CONOTOXIN LO1A
著者Maiti, M, Lescrinier, E, Herdewijn, P, Lebbe, E.K.M, Peigneur, S, D'Souza, L, Tytgat, J.
登録日2013-09-01
公開日2014-03-05
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure-Function Elucidation of a New alpha-Conotoxin, Lo1a, from Conus longurionis.
J.Biol.Chem., 289, 2014
7DXJ
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BU of 7dxj by Molmil
Human 46QHuntingtin-HAP40 complex structure
分子名称: 40-kDa huntingtin-associated protein, Huntingtin
著者Guo, Q, Fernandez-Busnadiego, R.
登録日2021-01-19
公開日2021-03-24
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Pathological polyQ expansion does not alter the conformation of the Huntingtin-HAP40 complex.
Structure, 29, 2021
7DXK
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BU of 7dxk by Molmil
Human 128QHuntingtin-HAP40 complex structure
分子名称: 40-kDa huntingtin-associated protein, Huntingtin
著者Guo, Q, Fernandez-Busnadiego, R.
登録日2021-01-19
公開日2021-03-24
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Pathological polyQ expansion does not alter the conformation of the Huntingtin-HAP40 complex.
Structure, 29, 2021
4LR6
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BU of 4lr6 by Molmil
Structure of BRD4 bromodomain 1 with a 3-methyl-4-phenylisoxazol-5-amine fragment
分子名称: 3-methyl-4-phenyl-1,2-oxazol-5-amine, Bromodomain-containing protein 4, FORMIC ACID
著者Jayaram, H, Poy, F, Gehling, V, Hewitt, M, Vaswani, R, Leblanc, Y, Cote, A, Nasveschuk, C, Taylor, A, Harmange, J.-C, Audia, J, Pardo, E, Joshi, S, Sandy, P, Mertz, J, Sims, R, Bergeron, L, Bryant, B, Ravichandran, S, Yellapuntala, S, Nandana, B.S, Birudukota, S, Albrecht, B, Bellon, S.
登録日2013-07-19
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.
ACS Med Chem Lett, 4, 2013
2L3N
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BU of 2l3n by Molmil
Solution structure of Rap1-Taz1 fusion protein
分子名称: DNA-binding protein rap1,Telomere length regulator taz1
著者Zhou, Z.R, Wang, F, Chen, Y, Lei, M, Hu, H.
登録日2010-09-19
公開日2011-01-12
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A conserved motif within RAP1 has diversified roles in telomere protection and regulation in different organisms.
Nat.Struct.Mol.Biol., 18, 2011
3NUL
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BU of 3nul by Molmil
Profilin I from Arabidopsis thaliana
分子名称: GLYCEROL, PROFILIN I, SULFATE ION
著者Thorn, K, Christensen, H.E.M, Shigeta, R, Huddler, D, Chua, N.-H, Shalaby, L, Lindberg, U, Schutt, C.E.
登録日1996-11-27
公開日1997-12-03
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of a major allergen from plants.
Structure, 5, 1997
4M7C
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BU of 4m7c by Molmil
Crystal structure of the TRF2-binding motif of SLX4 in complex with the TRFH domain of TRF2
分子名称: Peptide from Structure-specific endonuclease subunit SLX4, Telomeric repeat-binding factor 2
著者Wan, B, Chen, Y, Wu, J, Liu, Y, Lei, M.
登録日2013-08-12
公開日2013-09-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献SLX4 Assembles a Telomere Maintenance Toolkit by Bridging Multiple Endonucleases with Telomeres
Cell Rep, 4, 2013
1WMA
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BU of 1wma by Molmil
Crystal structure of human CBR1 in complex with Hydroxy-PP
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)PHENOL, ...
著者Rauh, D, Bateman, R, Shokat, K.M.
登録日2004-07-06
公開日2005-04-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献An unbiased cell morphology-based screen for new, biologically active small molecules
Plos Biol., 3, 2005
4Q13
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BU of 4q13 by Molmil
Apo Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant with a glucocorticoid receptor-interacting protein 1 NR box II peptide
分子名称: Estrogen receptor, Glucocorticoid receptor-interacting protein 1 NR box II peptide
著者Fanning, S.W, Panchamukhi, S, Greene, G.L.
登録日2014-04-02
公開日2015-04-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation.
Elife, 5, 2016
4PXM
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BU of 4pxm by Molmil
The Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant in Complex with Estradiol and a glucocorticoid receptor-interacting protein 1 NR box II peptide
分子名称: ESTRADIOL, Estrogen receptor, Nuclear receptor coactivator 2
著者Fanning, S.W, Panchamukhi, S, Greene, G.L.
登録日2014-03-24
公開日2015-04-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation.
Elife, 5, 2016
2MQ1
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Phosphotyrosine binding domain
分子名称: E3 ubiquitin-protein ligase Hakai, ZINC ION
著者Mukherjee, M, Jing-Song, F, Sivaraman, J.
登録日2014-06-11
公開日2014-08-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Dimeric switch of Hakai-truncated monomers during substrate recognition: insights from solution studies and NMR structure.
J.Biol.Chem., 289, 2014
3V00
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BU of 3v00 by Molmil
Studies of a constitutively active G-alpha subunit provide insights into the mechanism of G protein activation.
分子名称: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(t) subunit alpha-1/ Guanine nucleotide-binding protein G(i) subunit alpha-1 chimeric protein
著者Singh, G, Cerione, R.A.
登録日2011-12-07
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A constitutively active G-alpha subunit provide insights into the mechanism of G protein activation
Biochemistry, 51, 2012
4Q50
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BU of 4q50 by Molmil
The Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant in Complex with 4-hydroxytamoxifen
分子名称: 4-HYDROXYTAMOXIFEN, Estrogen receptor, SULFATE ION
著者Fanning, S.W, Greene, G.L.
登録日2014-04-15
公開日2015-04-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation.
Elife, 5, 2016

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