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6LNP
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BU of 6lnp by Molmil
Crystal structure of citrate Biosensor
Descriptor: CITRIC ACID, Fusion protein of Green fluorescent protein and Sensor histidine kinase CitA
Authors:Wen, Y, Campbell, R.
Deposit date:2019-12-31
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.993 Å)
Cite:High-Performance Intensiometric Direct- and Inverse-Response Genetically Encoded Biosensors for Citrate.
Acs Cent.Sci., 6, 2020
6NSI
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BU of 6nsi by Molmil
Crystal structure of Fe(III)-bound YtgA from Chlamydia trachomatis
Descriptor: CALCIUM ION, FE (III) ION, Manganese-binding protein, ...
Authors:Luo, Z, Campbell, R, Begg, S.L, Kobe, B, McDevitt, C.A.
Deposit date:2019-01-24
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.00006342 Å)
Cite:Structure and Metal Binding Properties of Chlamydia trachomatis YtgA.
J.Bacteriol., 202, 2019
5K8G
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BU of 5k8g by Molmil
Crystal structure of a putative peptide-binding domain of MpAFP
Descriptor: Antifreeze protein, CALCIUM ION
Authors:Guo, S, Campbell, R, Davies, P.
Deposit date:2016-05-30
Release date:2017-09-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice.
Sci Adv, 3, 2017
1D5M
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BU of 1d5m by Molmil
X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDE AND SEB
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, ...
Authors:Swain, A.L, Crowther, R, Kammlott, U.
Deposit date:1999-10-07
Release date:2000-06-28
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
1D5X
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BU of 1d5x by Molmil
X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH DIPEPTIDE MIMETIC AND SEB
Descriptor: DIPEPTIDE MIMETIC INHIBITOR, ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN
Authors:Swain, A, Crowther, R, Kammlott, U.
Deposit date:1999-10-12
Release date:2000-06-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
1D5Z
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BU of 1d5z by Molmil
X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDOMIMETIC AND SEB
Descriptor: PROTEIN (ENTEROTOXIN TYPE B), PROTEIN (HLA CLASS II HISTOCOMPATIBILITY ANTIGEN), PROTEIN (PEPTIDOMIMETIC INHIBITOR)
Authors:Swain, A, Crowther, R, Kammlott, U.
Deposit date:1999-10-12
Release date:2000-06-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
1D6E
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BU of 1d6e by Molmil
CRYSTAL STRUCTURE OF HLA-DR4 COMPLEX WITH PEPTIDOMIMETIC AND SEB
Descriptor: ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, PEPTIDOMIMETIC INHIBITOR
Authors:Swain, A, Crowther, R, Kammlott, U.
Deposit date:1999-10-13
Release date:2000-06-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
5LS6
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BU of 5ls6 by Molmil
Structure of Human Polycomb Repressive Complex 2 (PRC2) with inhibitor
Descriptor: 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide, Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2, Jarid2 K116me3, ...
Authors:Zhang, Y, Justin, N, Chen, S, Wilson, J, Gamblin, S.
Deposit date:2016-08-22
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.47 Å)
Cite:Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas.
J. Med. Chem., 59, 2016
8FAB
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BU of 8fab by Molmil
CRYSTAL STRUCTURE OF THE FAB FRAGMENT FROM THE HUMAN MYELOMA IMMUNOGLOBULIN IGG HIL AT 1.8 ANGSTROMS RESOLUTION
Descriptor: IGG1-LAMBDA HIL FAB (HEAVY CHAIN), IGG1-LAMBDA HIL FAB (LIGHT CHAIN)
Authors:Saul, F.A, Poljak, R.J.
Deposit date:1992-03-23
Release date:1993-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional structure of murine anti-p-azophenylarsonate Fab 36-71. 1. X-ray crystallography, site-directed mutagenesis, and modeling of the complex with hapten.
Biochemistry, 30, 1991
5IRB
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BU of 5irb by Molmil
Structural insight into host cell surface retention of a 1.5-MDa bacterial ice-binding adhesin
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, MAGNESIUM ION, ...
Authors:Guo, S, Phippen, S, Campbell, R, Davies, P.
Deposit date:2016-03-12
Release date:2017-07-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice.
Sci Adv, 3, 2017
7TAB
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BU of 7tab by Molmil
G-925 bound to the SMARCA4 (BRG1) Bromodomain
Descriptor: 2-(6-amino-5-phenylpyridazin-3-yl)phenol, Isoform 4 of Transcription activator BRG1
Authors:Tang, Y, Poy, F, Taylor, A.M, Cochran, A.G, Bellon, S.F.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:GNE-064: A Potent, Selective, and Orally Bioavailable Chemical Probe for the Bromodomains of SMARCA2 and SMARCA4 and the Fifth Bromodomain of PBRM1.
J.Med.Chem., 65, 2022
7TD9
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BU of 7td9 by Molmil
G-059 bound to the SMARCA4 (BRG1) Bromodomain
Descriptor: 4-phenyl-5H-pyridazino[4,3-b]indol-3-amine, Isoform 4 of Transcription activator BRG1
Authors:Tang, Y, Poy, F, Taylor, A.M, Cochran, A.G, Bellon, S.F.
Deposit date:2021-12-30
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:GNE-064: A Potent, Selective, and Orally Bioavailable Chemical Probe for the Bromodomains of SMARCA2 and SMARCA4 and the Fifth Bromodomain of PBRM1.
J.Med.Chem., 65, 2022
4GQB
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BU of 4gqb by Molmil
Crystal Structure of the human PRMT5:MEP50 Complex
Descriptor: (2S,5S,6E)-2,5-diamino-6-[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxydihydrofuran-2(3H)-ylidene]hexanoic acid, Histone H4 peptide, Methylosome protein 50, ...
Authors:Antonysamy, S, Bonday, Z, Campbell, R, Doyle, B, Druzina, Z, Gheyi, T, Han, B, Jungheim, L.N, Qian, Y, Rauch, C, Russell, M, Sauder, J.M, Wasserman, S.R, Weichert, K, Willard, F.S, Zhang, A, Emtage, S.
Deposit date:2012-08-22
Release date:2012-10-17
Last modified:2018-11-21
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal structure of the human PRMT5:MEP50 complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
6FAB
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BU of 6fab by Molmil
THREE-DIMENSIONAL STRUCTURE OF MURINE ANTI-P-AZOPHENYLARSONATE FAB 36-71. 1. X-RAY CRYSTALLOGRAPHY, SITE-DIRECTED MUTAGENESIS, AND MODELING OF THE COMPLEX WITH HAPTEN
Descriptor: IGG1-KAPPA 36-71 FAB (HEAVY CHAIN), IGG1-KAPPA 36-71 FAB (LIGHT CHAIN)
Authors:Strong, R.K, Rose, D.R, Petsko, G.A, Sharon, J, Margolies, M.N.
Deposit date:1991-01-17
Release date:1993-01-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Three-dimensional structure of murine anti-p-azophenylarsonate Fab 36-71. 1. X-ray crystallography, site-directed mutagenesis, and modeling of the complex with hapten.
Biochemistry, 30, 1991
7YV3
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BU of 7yv3 by Molmil
genetically encoded pH sensor Lime at pH10
Descriptor: Lime
Authors:Wen, Y, Shen, Y, Campbell, R, Lemieux, M.J.
Deposit date:2022-08-18
Release date:2023-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational Engineering of an Improved Genetically Encoded pH Sensor Based on Superecliptic pHluorin.
ACS Sens, 8, 2023
7YV5
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BU of 7yv5 by Molmil
genetically encoded pH sensor Lime at pH6
Descriptor: Lime
Authors:Wen, Y, Shen, Y, Campbell, R, Lemieux, M.J.
Deposit date:2022-08-18
Release date:2023-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Rational Engineering of an Improved Genetically Encoded pH Sensor Based on Superecliptic pHluorin.
ACS Sens, 8, 2023
4PHL
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BU of 4phl by Molmil
TbrPDEB1-inhibitor complex
Descriptor: 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-METHOXYBENZAMIDE, Class 1 phosphodiesterase PDEB1, ETHANOL, ...
Authors:Choy, M.S, Bland, N, Peti, W, Page, R.
Deposit date:2014-05-06
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:TbrPDEB1-inhibitor complex
To Be Published
5HM0
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BU of 5hm0 by Molmil
Crystal structure of the first bromodomain of human BRD4 bound to benzoisoxazoloazepine 3
Descriptor: 6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine, Bromodomain-containing protein 4
Authors:Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
Deposit date:2016-01-15
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.395 Å)
Cite:Identification of a Benzoisoxazoloazepine Inhibitor (CPI-0610) of the Bromodomain and Extra-Terminal (BET) Family as a Candidate for Human Clinical Trials.
J.Med.Chem., 59, 2016
5HLS
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BU of 5hls by Molmil
Crystal structure of the first bromodomain of human BRD4 bound to CPI-0610
Descriptor: Bromodomain-containing protein 4, CPI-0610
Authors:Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
Deposit date:2016-01-15
Release date:2016-02-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.182 Å)
Cite:Identification of a Benzoisoxazoloazepine Inhibitor (CPI-0610) of the Bromodomain and Extra-Terminal (BET) Family as a Candidate for Human Clinical Trials.
J.Med.Chem., 59, 2016

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