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3UFF
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BU of 3uff by Molmil
Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase Cdelta
Descriptor: PHOSPHATE ION, Protein kinase C delta type, ZINC ION
Authors:Shanmugasundararaj, S, Stehle, T, Miller, K.W.
Deposit date:2011-11-01
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Biophys.J., 103, 2012
4F7B
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BU of 4f7b by Molmil
Structure of the lysosomal domain of limp-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Neculai, D, Ravichandran, M, Seitova, A, Neculai, M, Pizzaro, J.C, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, D, Structural Genomics Consortium (SGC)
Deposit date:2012-05-15
Release date:2013-10-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of LIMP-2 provides functional insights with implications for SR-BI and CD36.
Nature, 504, 2013
3UGI
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BU of 3ugi by Molmil
Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase C delta
Descriptor: (methoxymethyl)cyclopropane, PHOSPHATE ION, Protein kinase C delta type, ...
Authors:Shanmugasundararaj, S, Stehle, T, Miller, K.W.
Deposit date:2011-11-02
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.361 Å)
Cite:Structural and Functional Characterization of an Anesthetic Binding Site in the Second Cysteine-Rich Domain of Protein Kinase Cdelta
Biophys.J., 103, 2012
4FMT
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BU of 4fmt by Molmil
Crystal structure of a ChpT protein (CC_3470) from Caulobacter crescentus CB15 at 2.30 A resolution
Descriptor: ChpT protein, GLYCEROL, SODIUM ION
Authors:Joint Center for Structural Genomics (JCSG), Shapiro, L.
Deposit date:2012-06-18
Release date:2012-07-25
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Branched signal wiring of an essential bacterial cell-cycle phosphotransfer protein.
Structure, 21, 2013
6MX8
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BU of 6mx8 by Molmil
Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib
Descriptor: 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
Authors:Dougan, D.R, Zhou, T.
Deposit date:2018-10-30
Release date:2018-12-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase.
J. Med. Chem., 59, 2016
6N2C
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BU of 6n2c by Molmil
The Crystal Structure of Caldicellulosiruptor hydrothermalis Tapirin C-terminal domain
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2018-11-12
Release date:2018-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Comparative Biochemical and Structural Analysis of Novel Cellulose Binding Proteins (Tapirins) from Extremely ThermophilicCaldicellulosiruptorSpecies.
Appl. Environ. Microbiol., 85, 2019
6N2B
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BU of 6n2b by Molmil
The Crystal Structure of Caldicellulosiruptor kristjanssonii Tapirin C-terminal domain
Descriptor: CALCIUM ION, GLYCEROL, Tapirin
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2018-11-12
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Comparative Biochemical and Structural Analysis of Novel Cellulose Binding Proteins (Tapirins) from Extremely ThermophilicCaldicellulosiruptorSpecies.
Appl. Environ. Microbiol., 85, 2019
1HSB
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BU of 1hsb by Molmil
DIFFERENT LENGTH PEPTIDES BIND TO HLA-AW68 SIMILARLY AT THEIR ENDS BUT BULGE OUT IN THE MIDDLE
Descriptor: ALANINE, ARGININE, BETA 2-MICROGLOBULIN, ...
Authors:Guo, H.-C, Strominger, J.L, Wiley, D.C.
Deposit date:1993-03-30
Release date:1993-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Different length peptides bind to HLA-Aw68 similarly at their ends but bulge out in the middle.
Nature, 360, 1992
5YVE
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BU of 5yve by Molmil
Crystal structure of human P2X3 receptor in complex with the AF-219 negative allosteric modulator
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide, MAGNESIUM ION, ...
Authors:Wang, Y, Hattori, M.
Deposit date:2017-11-25
Release date:2018-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Druggable negative allosteric site of P2X3 receptors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7ZZK
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BU of 7zzk by Molmil
Structure of the N-acetyl-D-glucosamine oxidase from Ralstonia Solanacearum
Descriptor: ALANINE, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Boverio, A, Rozeboom, H.J, Fraaije, M.W.
Deposit date:2022-05-25
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Elucidation and Engineering of a Bacterial Carbohydrate Oxidase.
Biochemistry, 62, 2023
4NJS
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BU of 4njs by Molmil
Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with non-peptidic inhibitor, GRL008
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease
Authors:Yedidi, R.S, Garimella, H, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H.
Deposit date:2013-11-11
Release date:2014-04-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV.
Antimicrob.Agents Chemother., 58, 2014
8LDH
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BU of 8ldh by Molmil
REFINED CRYSTAL STRUCTURE OF DOGFISH M4 APO-LACTATE DEHYDROGENASE
Descriptor: CITRIC ACID, M4 APO-LACTATE DEHYDROGENASE
Authors:Abad-Zapatero, C, Rossmann, M.G.
Deposit date:1988-01-04
Release date:1989-07-12
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Refined crystal structure of dogfish M4 apo-lactate dehydrogenase.
J.Mol.Biol., 198, 1987
8K3F
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BU of 8k3f by Molmil
Crystal structure of the recombination mediator protein RecR from Campylobacter jejuni
Descriptor: Recombination protein RecR, ZINC ION
Authors:Lee, S.J, Yoon, S.I.
Deposit date:2023-07-15
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Structural and Biochemical Analysis of the Recombination Mediator Protein RecR from Campylobacter jejuni.
Int J Mol Sci, 24, 2023
8BEG
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BU of 8beg by Molmil
Structure of Ig-like domains from PrgB
Descriptor: MAGNESIUM ION, PrgB
Authors:Jarva, M, Schmitt, A, Berntsson, R.P.-A.
Deposit date:2022-10-21
Release date:2022-11-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural foundation for the role of enterococcal PrgB in conjugation, biofilm formation, and virulence.
Elife, 12, 2023
8JED
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BU of 8jed by Molmil
Crystal structure of mRNA cap (guanine-N7) methyltransferase E12 subunit from monkeypox virus and discovery of its inhibitors
Descriptor: mRNA-capping enzyme regulatory subunit OPG124
Authors:Wang, D, Zhao, R, Shu, W, Hu, W, Wang, M, Cao, J, Zhou, X.
Deposit date:2023-05-15
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of mRNA cap (guanine-N7) methyltransferase E12 subunit from monkeypox virus and discovery of its inhibitors.
Int.J.Biol.Macromol., 253, 2023
6E5L
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BU of 6e5l by Molmil
Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiol (abn-CBD)
Descriptor: (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinol-binding protein 1
Authors:Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M.
Deposit date:2018-07-20
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
6E5W
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BU of 6e5w by Molmil
Crystal structure of human cellular retinol binding protein 3 in complex with abnormal-cannabidiol (abn-CBD)
Descriptor: (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, GLYCEROL, Retinol-binding protein 5
Authors:Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M.
Deposit date:2018-07-23
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
6E6K
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BU of 6e6k by Molmil
Crystal structure of human cellular retinol-binding protein 4 in complex with abnormal-cannabidiol (abn-CBD)
Descriptor: (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinoid-binding protein 7
Authors:Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M.
Deposit date:2018-07-25
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
1TMC
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BU of 1tmc by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF A CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX MOLECULE MISSING THE ALPHA3 DOMAIN OF THE HEAVY CHAIN
Descriptor: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-AW68), DECAMERIC PEPTIDE (EVAPPEYHRK)
Authors:Collins, E.J, Garboczi, D.N, Karpusas, M.N, Wiley, D.C.
Deposit date:1994-12-19
Release date:1995-03-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The three-dimensional structure of a class I major histocompatibility complex molecule missing the alpha 3 domain of the heavy chain.
Proc.Natl.Acad.Sci.USA, 92, 1995
4TU6
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BU of 4tu6 by Molmil
Crystal structure of apo ATAD2A bromodomain with N1064 alternate conformation
Descriptor: ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-23
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TU4
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BU of 4tu4 by Molmil
Crystal structure of ATAD2A bromodomain complexed with 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoicacid
Descriptor: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ...
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-23
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
3Q8W
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BU of 3q8w by Molmil
A b-aminoacyl containing thiazolidine derivative and DPPIV complex
Descriptor: Dipeptidyl peptidase 4, N-(4-{[({(2R)-3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidin-2-yl}carbonyl)amino]methyl}phenyl)-D-valine
Authors:Lee, J.O, Song, D.H.
Deposit date:2011-01-07
Release date:2011-03-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.64 Å)
Cite:Discovery of b-aminoacyl containing thiazolidine derivatives as potent and selective dipeptidyl peptidase IV inhibitors
To be Published
4TT6
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BU of 4tt6 by Molmil
Crystal structure of ATAD2A bromodomain double mutant N1063A-Y1064A in apo form
Descriptor: ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ...
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-19
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TTE
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BU of 4tte by Molmil
Crystal structure of ATAD2A bromodomain complexed with methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate
Descriptor: ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ...
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-20
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TVY
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BU of 4tvy by Molmil
Apo resorufin ligase
Descriptor: 5-(3,7-dihydroxy-10H-phenoxazin-2-yl)pentanamide, Lipoate-protein ligase A
Authors:Goldman, P.J, Drennan, C.L.
Deposit date:2014-06-28
Release date:2014-10-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Computational design of a red fluorophore ligase for site-specific protein labeling in living cells.
Proc.Natl.Acad.Sci.USA, 111, 2014

221051

数据于2024-06-12公开中

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