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1DAA
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BU of 1daa by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF D-AMINO ACID AMINOTRANSFERASE COMPLEXED WITH PYRIDOXAL-5'-PHOSPHATE
Descriptor: D-AMINO ACID AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Sugio, S, Peisach, D, Ringe, D.
Deposit date:1995-06-09
Release date:1995-09-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structure of a D-amino acid aminotransferase: how the protein controls stereoselectivity.
Biochemistry, 34, 1995
3LPL
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BU of 3lpl by Molmil
E. coli pyruvate dehydrogenase complex E1 component E571A mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Furey, W.
Deposit date:2010-02-05
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Communication between thiamin cofactors in the Escherichia coli pyruvate dehydrogenase complex E1 component active centers: evidence for a "direct pathway" between the 4'-aminopyrimidine N1' atoms.
J.Biol.Chem., 285, 2010
3LQ2
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BU of 3lq2 by Molmil
E. coli pyruvate dehydrogenase complex E1 E235A mutant with low TDP concentration
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Furey, W.
Deposit date:2010-02-08
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Communication between thiamin cofactors in the Escherichia coli pyruvate dehydrogenase complex E1 component active centers: evidence for a "direct pathway" between the 4'-aminopyrimidine N1' atoms.
J.Biol.Chem., 285, 2010
3LQ4
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BU of 3lq4 by Molmil
E. coli pyruvate dehydrogenase complex E1 E235A mutant with high TDP concentration
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Furey, W.
Deposit date:2010-02-08
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Communication between thiamin cofactors in the Escherichia coli pyruvate dehydrogenase complex E1 component active centers: evidence for a "direct pathway" between the 4'-aminopyrimidine N1' atoms.
J.Biol.Chem., 285, 2010
8DTK
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BU of 8dtk by Molmil
Structure of RBD directed antibody DH1047 in complex with SARS-CoV-2 spike: Local refinement of RBD-Fab interace
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1047 Fab Heavy Chain, DH1047 Fab Light Chain, ...
Authors:May, A.J, Manne, K, Acharya, P.
Deposit date:2022-07-25
Release date:2023-08-02
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Broadly neutralizing antibody induction by non-stabilized SARS-CoV-2 Spike mRNA vaccination in nonhuman primates.
Biorxiv, 2023
4J6C
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BU of 4j6c by Molmil
The 1.9 A crystal structure of CYP154C5 from Nocardia farcinica in complex with progesterone
Descriptor: Cytochrome P450 monooxygenase, FORMIC ACID, MAGNESIUM ION, ...
Authors:Herzog, K, Hoffmann, K.M.
Deposit date:2013-02-11
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Enzyme-substrate complex structures of CYP154C5 shed light on its mode of highly selective steroid hydroxylation.
Acta Crystallogr.,Sect.D, 70, 2014
4JBT
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BU of 4jbt by Molmil
The 2.2 A crystal structure of CYP154C5 from Nocardia farcinica in complex with androstenedione
Descriptor: 4-ANDROSTENE-3-17-DIONE, Cytochrome P450 monooxygenase, FORMIC ACID, ...
Authors:Herzog, K, Hoffmann, K.M.
Deposit date:2013-02-20
Release date:2014-03-05
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Enzyme-substrate complex structures of CYP154C5 shed light on its mode of highly selective steroid hydroxylation.
Acta Crystallogr.,Sect.D, 70, 2014
7BBG
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BU of 7bbg by Molmil
CRYSTAL STRUCTURE OF HLA-A2-WT1-RMF AND FAB 11D06
Descriptor: Beta-2-microglobulin, Heavy chain of Fab fragment 11D06, Light chain of Fab fragment 11D06, ...
Authors:Bujotzek, A, Georges, G, Hanisch, L.J, Klein, C, Benz, J.
Deposit date:2020-12-17
Release date:2021-10-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Targeting intracellular WT1 in AML with a novel RMF-peptide-MHC-specific T-cell bispecific antibody.
Blood, 138, 2021
2GNN
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BU of 2gnn by Molmil
Crystal Structure of the Orf Virus NZ2 Variant of VEGF-E
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, ...
Authors:Prota, A.E, Pieren, M, Wagner, A, Kostrewa, D, Winkler, F.K, Ballmer-Hofer, K.
Deposit date:2006-04-10
Release date:2006-05-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the Orf virus NZ2 variant of vascular endothelial growth factor-E. Implications for receptor specificity.
J.Biol.Chem., 281, 2006
3I81
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BU of 3i81 by Molmil
Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with BMS-754807 [1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoro-3-pyridinyl)-2-methyl-L-prolinamide]
Descriptor: 1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-proli namide, Insulin-like growth factor 1 receptor
Authors:Sack, J.S.
Deposit date:2009-07-09
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development.
J.Med.Chem., 52, 2009
7LYK
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BU of 7lyk by Molmil
South African (B.1.351) SARS-CoV-2 spike protein variant (S-GSAS-B.1.351) in the 2-RBD-up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-03-07
Release date:2021-03-31
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
7LYQ
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BU of 7lyq by Molmil
South African (B.1.351) SARS-CoV-2 spike protein variant (S-GSAS-B.1.351) in the 1-RBD-up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-03-07
Release date:2021-03-31
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
7LYL
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BU of 7lyl by Molmil
South African (B.1.351) SARS-CoV-2 spike protein variant (S-GSAS-B.1.351) in the RBD-down conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-03-07
Release date:2021-03-31
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
7LYO
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BU of 7lyo by Molmil
South African (B.1.351) SARS-CoV-2 spike protein variant (S-GSAS-B.1.351) in the 1-RBD-up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-03-07
Release date:2021-03-31
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
7LYP
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BU of 7lyp by Molmil
South African (B.1.351) SARS-CoV-2 spike protein variant (S-GSAS-B.1.351) in the 1-RBD-up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-03-07
Release date:2021-03-31
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
7LYN
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BU of 7lyn by Molmil
South African (B.1.351) SARS-CoV-2 spike protein variant (S-GSAS-B.1.351) in the 1-RBD-up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-03-07
Release date:2021-03-31
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
5CSZ
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BU of 5csz by Molmil
CRYSTAL STRUCTURE OF GANTENERUMAB FAB FRAGMENT IN COMPLEX WITH ABETA 1-11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Amyloid beta A4 protein, GANTENERUMAB FAB FRAGMENT HEAVY CHAIN, ...
Authors:Benz, J, Burger, D, Loetscher, H.R, Bohrmann, B.
Deposit date:2015-07-23
Release date:2015-08-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Gantenerumab: a novel human anti-Abeta antibody demonstrates sustained cerebral amyloid-Beta binding and elicits cell-mediated removal of human amyloid-Beta.
J. Alzheimers Dis., 28, 2012
5N12
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BU of 5n12 by Molmil
Crystal structure of TCE treated rPPEP-1
Descriptor: 2,2,2-tris-chloroethanol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pro-Pro endopeptidase, ...
Authors:Pichlo, C, Schacherl, M, Baumann, U.
Deposit date:2017-02-04
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Improved protein-crystal identification by using 2,2,2-trichloroethanol as a fluorescence enhancer.
Acta Crystallogr F Struct Biol Commun, 74, 2018
1YNA
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BU of 1yna by Molmil
ENDO-1,4-BETA-XYLANASE, ROOM TEMPERATURE, PH 4.0
Descriptor: ENDO-1,4-BETA-XYLANASE
Authors:Gruber, K, Kratky, C.
Deposit date:1996-08-22
Release date:1997-02-12
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Thermophilic xylanase from Thermomyces lanuginosus: high-resolution X-ray structure and modeling studies.
Biochemistry, 37, 1998
6Q7A
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BU of 6q7a by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 4 AT 2.2A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole, Nuclear receptor ROR-gamma
Authors:Kallen, J.
Deposit date:2018-12-13
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6Q6O
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BU of 6q6o by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 2 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: CHOLIC ACID, Nuclear receptor ROR-gamma, propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate
Authors:Kallen, J.
Deposit date:2018-12-11
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6Q7H
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BU of 6q7h by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 9 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid, Nuclear receptor ROR-gamma
Authors:Kallen, J.
Deposit date:2018-12-13
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6Q6M
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BU of 6q6m by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 1: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
Descriptor: Nuclear receptor ROR-gamma, ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate
Authors:Kallen, J.
Deposit date:2018-12-11
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
2OJ9
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BU of 2oj9 by Molmil
Structure of IGF-1R kinase domain complexed with a benzimidazole inhibitor
Descriptor: 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-2-YLMETHYL)AMINO]PYRIDIN-2(1H)-ONE, Insulin-like growth factor 1 receptor precursor (EC 2.7.10.1) (Insulin-like growth factor I receptor) (IGF-I receptor) (CD221 antigen)
Authors:Sack, J.S, Jacobson, B.L.
Deposit date:2007-01-12
Release date:2007-05-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and initial SAR of 3-(1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-ones as inhibitors of insulin-like growth factor 1-receptor (IGF-1R).
Bioorg.Med.Chem.Lett., 17, 2007
1ZWD
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BU of 1zwd by Molmil
STRUCTURE OF HUMAN PARATHYROID HORMONE FRAGMENT 3-37, NMR, 10 STRUCTURES
Descriptor: PARATHYROID HORMONE
Authors:Roesch, P, Marx, U.C.
Deposit date:1996-06-17
Release date:1997-03-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure-activity relation of NH2-terminal human parathyroid hormone fragments.
J.Biol.Chem., 273, 1998

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