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3T0Q
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BU of 3t0q by Molmil
Motor Domain Structure of the Kar3-like kinesin from Ashbya gossypii
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, AGR253Wp, ...
Authors:Duan, D, Hnatchuk, D.J, Brenner, J, Davis, D, Allingham, J.S.
Deposit date:2011-07-20
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of the Kar3-like kinesin motor domain from the filamentous fungus Ashbya gossypii.
Proteins, 80, 2012
8ELS
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BU of 8els by Molmil
HRAS R97A Crystal Form 1 R-state
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Davis, D, Johnson, C.W, Mattos, C.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.267 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
4NI7
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BU of 4ni7 by Molmil
Crystal structure of human interleukin 6 in complex with a modified nucleotide aptamer (SOMAMER SL1025)
Descriptor: Interleukin-6, SODIUM ION, SOMAmer SL1025
Authors:Davies, D, Edwards, T, Gelinas, A, Jarvis, T, Clifton, M.C.
Deposit date:2013-11-05
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of interleukin-6 in complex with a modified nucleic Acid ligand.
J.Biol.Chem., 289, 2014
4NI9
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BU of 4ni9 by Molmil
Crystal structure of human interleukin 6 in complex with a modified nucleotide aptamer (SOMAMER SL1025), FORM 2
Descriptor: Interleukin-6, SODIUM ION, SOMAmer SL1025
Authors:Davies, D, Edwards, T, Gelinas, A, Jarvis, T, Clifton, M.C.
Deposit date:2013-11-05
Release date:2014-01-22
Last modified:2016-06-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of interleukin-6 in complex with a modified nucleic Acid ligand.
J.Biol.Chem., 289, 2014
1BQL
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BU of 1bql by Molmil
STRUCTURE OF AN ANTI-HEL FAB FRAGMENT COMPLEXED WITH BOBWHITE QUAIL LYSOZYME
Descriptor: BOBWHITE QUAIL LYSOZYME, HYHEL-5 FAB (HEAVY CHAIN), HYHEL-5 FAB (LIGHT CHAIN)
Authors:Chacko, S, Davies, D.R.
Deposit date:1995-02-03
Release date:1995-04-20
Last modified:2017-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Refined structures of bobwhite quail lysozyme uncomplexed and complexed with the HyHEL-5 Fab fragment.
Proteins, 26, 1996
1GK5
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BU of 1gk5 by Molmil
Solution Structure the mEGF/TGFalpha44-50 chimeric growth factor
Descriptor: Pro-epidermal growth factor,Protransforming growth factor alpha
Authors:Chamberlin, S.G, Brennan, L, Puddicombe, S.M, Davies, D.E, Turner, D.L.
Deposit date:2001-08-08
Release date:2002-08-08
Last modified:2018-03-28
Method:SOLUTION NMR
Cite:Solution Structure of the Megf/Tgfalpha44-50 Chimeric Growth Factor.
Eur.J.Biochem., 268, 2001
4S2S
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BU of 4s2s by Molmil
Crystal Structure of Fab fragment of monoclonal antibody RoAb13
Descriptor: RoAb13 Fab Heavy chain, RoAb13 Fab Light chain
Authors:Chain, B, Arnold, J, Akthar, S, Noursadeghi, M, Lapp, T, Ji, C, Naider, D, Zhang, Y, Govada, L, Saridakis, E, Chayen, N.E.
Deposit date:2015-01-22
Release date:2015-06-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Linear Epitope in the N-Terminal Domain of CCR5 and Its Interaction with Antibody.
Plos One, 10, 2015
2C1B
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BU of 2c1b by Molmil
Structure of cAMP-dependent protein kinase complexed with (4R,2S)-5'-(4-(4-Chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline
Descriptor: (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE, CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR
Authors:Collins, I, Caldwell, J, Fonseca, T, Donald, A, Bavetsias, V, Hunter, L.J, Garrett, M.D, Rowlands, M.G, Aherne, G.W, Davies, T.G, Berdini, V, Woodhead, S.J, Seavers, L.C.A, Wyatt, P.G, Workman, P, McDonald, E.
Deposit date:2005-09-12
Release date:2005-11-02
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B.
Bioorg. Med. Chem., 14, 2006
2C1A
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BU of 2c1a by Molmil
Structure of cAMP-dependent protein kinase complexed with Isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino) ethyl)amide
Descriptor: CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
Authors:Collins, I, Caldwell, J, Fonseca, T, Donald, A, Bavetsias, V, Hunter, L.J, Garrett, M.D, Rowlands, M.G, Aherne, G.W, Davies, T.G, Berdini, V, Woodhead, S.J, Seavers, L.C.A, Wyatt, P.G, Workman, P, McDonald, E.
Deposit date:2005-09-12
Release date:2005-11-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B.
Bioorg. Med. Chem., 14, 2006
7QH1
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BU of 7qh1 by Molmil
Discovery and development of a novel inhaled antivirulence therapy for the treatment of Pseudomonas aeruginosa infections in patients with chronic respiratory disease
Descriptor: 2-[2-[[5-[3-[bis(2-hydroxyethyl)-methyl-$l^{4}-azanyl]propoxy]-6-methoxy-1,3-benzothiazol-2-yl]methylcarbamoyl]-5,6-bis(fluoranyl)-1,3-dihydroinden-2-yl]ethanoic acid, CALCIUM ION, Keratinase KP2, ...
Authors:Leonard, P.M, Davies, D, Pallin, T.D.
Deposit date:2021-12-10
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Chemical Optimization of Selective Pseudomonas aeruginosa LasB Elastase Inhibitors and Their Impact on LasB-Mediated Activation of IL-1 beta in Cellular and Animal Infection Models.
Acs Infect Dis., 9, 2023
1MCP
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BU of 1mcp by Molmil
PHOSPHOCHOLINE BINDING IMMUNOGLOBULIN FAB MC/PC603. AN X-RAY DIFFRACTION STUDY AT 2.7 ANGSTROMS
Descriptor: IGA-KAPPA MCPC603 FAB (HEAVY CHAIN), IGA-KAPPA MCPC603 FAB (LIGHT CHAIN), SULFATE ION
Authors:Satow, Y, Cohen, G.H, Padlan, E.A, Davies, D.R.
Deposit date:1984-07-09
Release date:1985-01-02
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Phosphocholine binding immunoglobulin Fab McPC603. An X-ray diffraction study at 2.7 A.
J.Mol.Biol., 190, 1986
4RFZ
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BU of 4rfz by Molmil
Crystal structure of BTK kinase domain complexed with 6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]isoquinolin-1-one
Descriptor: 6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]isoquinolin-1(2H)-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
Authors:Kuglstatter, A, Wong, A.
Deposit date:2014-09-29
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Finding the perfect spot for fluorine: Improving potency up to 40-fold during a rational fluorine scan of a Bruton's Tyrosine Kinase (BTK) inhibitor scaffold.
Bioorg.Med.Chem.Lett., 25, 2015
4RG0
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BU of 4rg0 by Molmil
Crystal structure of BTK kinase domain complexed with 2-[8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methyl-propanenitrile
Descriptor: 2-{8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl}-2-methylpropanenitrile, Tyrosine-protein kinase BTK
Authors:Kuglstatter, A, Wong, A.
Deposit date:2014-09-29
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Finding the perfect spot for fluorine: Improving potency up to 40-fold during a rational fluorine scan of a Bruton's Tyrosine Kinase (BTK) inhibitor scaffold.
Bioorg.Med.Chem.Lett., 25, 2015
4RFY
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BU of 4rfy by Molmil
Crystal structure of BTK kinase domain complexed with 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]-3,4-dihydroisoquinolin-1-one
Descriptor: 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholin-4-ylcarbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
Authors:Kuglstatter, A, Wong, A.
Deposit date:2014-09-29
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Finding the perfect spot for fluorine: Improving potency up to 40-fold during a rational fluorine scan of a Bruton's Tyrosine Kinase (BTK) inhibitor scaffold.
Bioorg.Med.Chem.Lett., 25, 2015
2IFF
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BU of 2iff by Molmil
STRUCTURE OF AN ANTIBODY-LYSOZYME COMPLEX: EFFECT OF A CONSERVATIVE MUTATION
Descriptor: HEN EGG WHITE LYSOZYME, IGG1 HYHEL-5 FAB (HEAVY CHAIN), IGG1 HYHEL-5 FAB (LIGHT CHAIN)
Authors:Chacko, S, Davies, D.R.
Deposit date:1994-02-03
Release date:1994-05-31
Last modified:2011-08-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of an antibody-lysozyme complex unexpected effect of conservative mutation.
J.Mol.Biol., 245, 1995
4GKP
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BU of 4gkp by Molmil
Structure of the truncated neck and C-terminal motor homology domain of ViK1 from Candida glabrata
Descriptor: Spindle pole body-associated protein VIK1
Authors:Duan, D, Allingham, J.S.
Deposit date:2012-08-13
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Neck Rotation and Neck Mimic Docking in the Noncatalytic Kar3-associated Protein Vik1.
J.Biol.Chem., 287, 2012
4AUA
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BU of 4aua by Molmil
Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6)
Descriptor: 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone, CYCLIN-DEPENDENT KINASE 6
Authors:Cho, Y.S, Angove, H, Brain, C, Chen, C.H.T, Cheng, R, Chopra, R, Chung, K, Congreve, M, Dagostin, C, Davis, D, Feltell, R, Giraldes, J, Hiscock, S, Kim, S, Kovats, S, Lagu, B, Lewry, K, Loo, A, Lu, Y, Luzzio, M, Maniara, W, Mcmenamin, R, Mortenson, P, Benning, R, O'Reilly, M, Rees, D, Shen, J, Smith, T, Wang, Y, Williams, G, Woolford, A, Wrona, W, Xu, M, Yang, F, Howard, S.
Deposit date:2012-05-15
Release date:2013-02-06
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
4GKQ
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BU of 4gkq by Molmil
Structure of the neck and C-terminal motor homology domain of ViK1 from Candida glabrata
Descriptor: SPINDLE POLE BODY-ASSOCIATED PROTEIN VIK1
Authors:Duan, D, Allingham, J.S.
Deposit date:2012-08-13
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Neck Rotation and Neck Mimic Docking in the Noncatalytic Kar3-associated Protein Vik1.
J.Biol.Chem., 287, 2012
4GKR
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BU of 4gkr by Molmil
Structure of the C-terminal motor domain of Kar3 from Candida glabrata
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Duan, D, Allingham, J.S.
Deposit date:2012-08-13
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Neck Rotation and Neck Mimic Docking in the Noncatalytic Kar3-associated Protein Vik1.
J.Biol.Chem., 287, 2012
1W82
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BU of 1w82 by Molmil
p38 Kinase crystal structure in complex with small molecule inhibitor
Descriptor: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-(4-CHLOROPHENYL)UREA
Authors:Tickle, J, Jhoti, H, Cleasby, A, Devine, L.
Deposit date:2004-09-16
Release date:2005-02-08
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation
J.Med.Chem., 48, 2005
3UJH
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BU of 3ujh by Molmil
Crystal structure of substrate-bound Glucose-6-phosphate isomerase from Toxoplasma gondii
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLUCOSE-6-PHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-11-07
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of substrate-bound Glucose-6-phosphate isomerase from Toxoplasma gondii
To be Published
7RL2
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BU of 7rl2 by Molmil
Crystal Structure of the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug Losartan
Descriptor: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Shah, M.B.
Deposit date:2021-07-23
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Insights into the Genetic Variations of Human Cytochrome P450 2C9: Structural Analysis, Characterization and Comparison.
Int J Mol Sci, 22, 2021
4B50
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BU of 4b50 by Molmil
Crystal structure of the HIV-1 gp41 MPER-specific llama VHH 2H10
Descriptor: 2H10 LLAMA VHH
Authors:Lutje Hulsik, D, Sabin, C, Macheboeuf, P, Weissenhorn, W.
Deposit date:2012-08-02
Release date:2013-03-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A Gp41 Mper-Specific Llama Vhh Requires a Hydrophobic Cdr3 for Neutralization But not for Antigen Recognition.
Plos Pathog., 9, 2013
1DMA
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BU of 1dma by Molmil
DOMAIN III OF PSEUDOMONAS AERUGINOSA EXOTOXIN COMPLEXED WITH NICOTINAMIDE AND AMP
Descriptor: ADENOSINE MONOPHOSPHATE, EXOTOXIN A, NICOTINAMIDE
Authors:Li, M, Dyda, F, Benhar, I, Pastan, I, Davies, D.
Deposit date:1995-04-28
Release date:1995-09-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of Pseudomonas aeruginosa exotoxin domain III with nicotinamide and AMP: conformational differences with the intact exotoxin.
Proc.Natl.Acad.Sci.USA, 92, 1995
3LNC
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BU of 3lnc by Molmil
Crystal structure of guanylate kinase from Anaplasma phagocytophilum
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Guanylate kinase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-02-02
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of guanylate kinase from Anaplasma phagocytophilum
TO BE PUBLISHED

 

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