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2ADU
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BU of 2adu by Molmil
Human Methionine Aminopeptidase Complex with 4-Aryl-1,2,3-triazole Inhibitor
Descriptor: 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE, COBALT (II) ION, Methionine aminopeptidase 2
Authors:Kallander, L.S, Lu, Q, Chen, W, Tomaszek, T, Yang, G, Tew, D, Meek, T.D, Hofmann, G.A, Schulz-Pritchard, C.K, Smith, W.W, Janson, C.A, Ryan, M.D, Zhang, G.F, Johanson, K.O, Kirkpatrick, R.B, Ho, T.F, Fisher, P.W, Mattern, M.R, Johnson, R.K, Hansbury, M.J, Winkler, J.D, Ward, K.W, Veber, D.F, Thompson, S.K.
Deposit date:2005-07-20
Release date:2005-09-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:4-Aryl-1,2,3-triazole: A Novel Template for a Reversible Methionine Aminopeptidase 2 Inhibitor, Optimized To Inhibit Angiogenesis in Vivo
J.Med.Chem., 48, 2005
4DBS
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BU of 4dbs by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3'-[(4-nitronaphthalen-1-yl)amino]benzoic acid
Descriptor: 3-[(4-nitronaphthalen-1-yl)amino]benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M.
Deposit date:2012-01-16
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer.
Bioorg.Med.Chem.Lett., 22, 2012
4DBU
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BU of 4dbu by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid
Descriptor: 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M.
Deposit date:2012-01-16
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.528 Å)
Cite:Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer.
Bioorg.Med.Chem.Lett., 22, 2012
5JRQ
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BU of 5jrq by Molmil
BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-6-VEM
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide, ...
Authors:Grasso, M.J, Marmorstein, R.
Deposit date:2016-05-06
Release date:2016-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.287 Å)
Cite:Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation.
Acs Chem.Biol., 11, 2016
5JSM
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BU of 5jsm by Molmil
BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-3-VEM
Descriptor: BENZAMIDINE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Grasso, M.J, Marmorstein, R.
Deposit date:2016-05-08
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation.
Acs Chem.Biol., 11, 2016
5JT2
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BU of 5jt2 by Molmil
BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-BISAMIDE
Descriptor: 2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide), BENZAMIDINE, Serine/threonine-protein kinase B-raf
Authors:Grasso, M.J, Marmorstein, R.
Deposit date:2016-05-09
Release date:2016-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation.
Acs Chem.Biol., 11, 2016
1GFW
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BU of 1gfw by Molmil
THE 2.8 ANGSTROM CRYSTAL STRUCTURE OF CASPASE-3 (APOPAIN OR CPP32)IN COMPLEX WITH AN ISATIN SULFONAMIDE INHIBITOR.
Descriptor: 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE, CASPASE-3 (APOPAIN, P10), ...
Authors:Concha, N.O, Janson, C.A.
Deposit date:2000-06-16
Release date:2000-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Potent and selective nonpeptide inhibitors of caspases 3 and 7 inhibit apoptosis and maintain cell functionality.
J.Biol.Chem., 275, 2000
1NOO
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BU of 1noo by Molmil
CYTOCHROME P450-CAM COMPLEXED WITH 5-EXO-HYDROXYCAMPHOR
Descriptor: 5-EXO-HYDROXYCAMPHOR, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, H.Y, Poulos, T.L.
Deposit date:1995-12-02
Release date:1996-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Cytochrome P450-Cam Complexed with its Catalytic Product, 5-Exo-Hydroxycamphor
J.Am.Chem.Soc., 117, 1995

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