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4NQI
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BU of 4nqi by Molmil
Structure of the N-terminal I-BAR domain (1-259) of D.Discoideum IBARa
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, SH3 domain-containing protein
Authors:Witte, G, Faix, J, Runge-Wollmann, P.
Deposit date:2013-11-25
Release date:2014-02-05
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:The inverse BAR domain protein IBARa drives membrane remodeling to control osmoregulation, phagocytosis and cytokinesis.
J.Cell.Sci., 127, 2014
8SWM
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BU of 8swm by Molmil
Crystal structure of Campylobacter jejuni ketol-acid reductoisomerase in complex with 2-acetolactate
Descriptor: (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid, CHLORIDE ION, Ketol-acid reductoisomerase (NADP(+)), ...
Authors:Lin, X, Lonhienne, T, Guddat, L.W.
Deposit date:2023-05-19
Release date:2024-04-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
4O9W
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BU of 4o9w by Molmil
Crystal structure of polo-like kinase(PLK1)PBD in complex with phospho peptide
Descriptor: Serine/threonine-protein kinase PLK1, phospho peptide VAL-LEU-SER-TPO-LEU-NH2
Authors:Bong, S.M, Lee, B.I, Kim, K.T.
Deposit date:2014-01-03
Release date:2014-08-13
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (1.694 Å)
Cite:The condensin component NCAPG2 regulates microtubule-kinetochore attachment through recruitment of Polo-like kinase 1 to kinetochores.
Nat Commun, 5, 2014
3LDH
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BU of 3ldh by Molmil
A comparison of the structures of apo dogfish m4 lactate dehydrogenase and its ternary complexes
Descriptor: LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRUVIC ACID
Authors:White, J.L, Hackert, M.L, Buehner, M, Adams, M.J, Ford, G.C, Lentzjunior, P.J, Smiley, I.E, Steindel, S.J, Rossmann, M.G.
Deposit date:1974-06-06
Release date:1977-04-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:A comparison of the structures of apo dogfish M4 lactate dehydrogenase and its ternary complexes.
J.Mol.Biol., 102, 1976
4MOT
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BU of 4mot by Molmil
Structure of Streptococcus pneumonia pare in complex with AZ13072886
Descriptor: 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea, Topoisomerase IV subunit B
Authors:Ogg, D, Boriack-Sjodin, P.A.
Deposit date:2013-09-12
Release date:2013-11-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy.
Bioorg.Med.Chem.Lett., 24, 2014
4Q1E
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BU of 4q1e by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 10 {2-{[(1R/S)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-methyl-1,3-thiazol 4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine}
Descriptor: (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, (S)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, ...
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4QKV
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BU of 4qkv by Molmil
Crystal structure of the mouse cavin1 HR1 domain
Descriptor: Polymerase I and transcript release factor
Authors:Kovtun, O, Tillu, V, Parton, R.G, Collins, B.M.
Deposit date:2014-06-10
Release date:2015-03-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into the organization of the cavin membrane coat complex
Dev.Cell, 31, 2014
4Q1A
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BU of 4q1a by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 6 {2-[5-(4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethanol}
Descriptor: 2-(5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)ethan-1-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4Q2C
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BU of 4q2c by Molmil
Crystal structure of CRISPR-associated protein
Descriptor: CRISPR-associated helicase Cas3, NICKEL (II) ION
Authors:Gong, B, Shin, M, Sun, J, van der Oost, J, Kim, J.-S.
Deposit date:2014-04-07
Release date:2014-11-19
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular insights into DNA interference by CRISPR-associated nuclease-helicase Cas3.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PFE
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BU of 4pfe by Molmil
Crystal structure of vsfGFP-0
Descriptor: Green fluorescent protein
Authors:Jauch, R, Chen, S.L.
Deposit date:2014-04-29
Release date:2015-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Rational Structure-Based Design of Bright GFP-Based Complexes with Tunable Dimerization.
Angew.Chem.Int.Ed.Engl., 54, 2015
4MTX
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BU of 4mtx by Molmil
Structure of the ERS1 dimerization and histidine phosphotransfer domain from Arabidopsis thaliana
Descriptor: Ethylene response sensor 1
Authors:Mayerhofer, H, Mueller-Dieckmann, J.
Deposit date:2013-09-20
Release date:2014-10-01
Last modified:2015-03-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Model of the Cytosolic Domain of the Plant Ethylene Receptor 1 (ETR1).
J.Biol.Chem., 290, 2015
4PZQ
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BU of 4pzq by Molmil
Crystal Structure of CCG DNA repeats
Descriptor: COBALT (II) ION, DNA (5'-D(*TP*CP*CP*GP*CP*CP*GP*CP*CP*GP*A)-3')
Authors:Chen, Y.W, Hou, M.H.
Deposit date:2014-03-31
Release date:2015-01-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structural basis for the identification of an i-motif tetraplex core with a parallel-duplex junction as a structural motif in CCG triplet repeats
Angew.Chem.Int.Ed.Engl., 53, 2014
4Q1C
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BU of 4q1c by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 8 {2,2'-[{4-[(2R)-4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-2,3-dihydro-1,3-thiazol-2-yl]benzene-1,2-diyl}bis(oxy)]diethanol}
Descriptor: 2,2'-((4-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-1,2-phenylene)bis(oxy))bis(ethan-1-ol), Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4Q2D
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BU of 4q2d by Molmil
Crystal Structure of CRISPR-Associated protein in complex with 2'-Deoxyadenosine 5'-Triphosphate
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CRISPR-associated helicase Cas3, MAGNESIUM ION, ...
Authors:Gong, B, Shin, M, Sun, J, van der Oost, J, Kim, J.-S.
Deposit date:2014-04-07
Release date:2014-11-19
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.771 Å)
Cite:Molecular insights into DNA interference by CRISPR-associated nuclease-helicase Cas3.
Proc.Natl.Acad.Sci.USA, 111, 2014
4Q1F
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BU of 4q1f by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 12R {N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide}
Descriptor: Deoxycytidine kinase, N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
3N29
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BU of 3n29 by Molmil
Crystal structure of carboxynorspermidine decarboxylase complexed with Norspermidine from Campylobacter jejuni
Descriptor: Carboxynorspermidine decarboxylase, GLYCEROL, N-(3-aminopropyl)propane-1,3-diamine, ...
Authors:Deng, X, Lee, J, Michael, A.J, Tomchick, D.R, Goldsmith, E.J, Phillips, M.A.
Deposit date:2010-05-17
Release date:2010-06-09
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Evolution of substrate specificity within a diverse family of beta/alpha-barrel-fold basic amino acid decarboxylases: X-ray structure determination of enzymes with specificity for L-arginine and carboxynorspermidine.
J.Biol.Chem., 285, 2010
4Q1D
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BU of 4q1d by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 9 {2-{[(1R)-1-{2-[3-(2-fluoroethoxy)-4-methoxyphenyl]-5-propyl-1,3-thiazol-4-yl}ethyl]sulfanyl}pyrimidine-4,6-diamine}
Descriptor: (R)-2-((1-(2-(3-(2-fluoroethoxy)-4-methoxyphenyl)-5-propylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4PL9
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BU of 4pl9 by Molmil
Structure of the catalytic domain of ETR1 from Arabidopsis thaliana
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, ...
Authors:Panneerselvam, S, Mueller-Dieckmann, J.
Deposit date:2014-05-16
Release date:2014-12-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Model of the Cytosolic Domain of the Plant Ethylene Receptor 1 (ETR1).
J.Biol.Chem., 290, 2015
2N6A
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BU of 2n6a by Molmil
NMR structure of a human calmodulin/connexin-36 peptide hybrid
Descriptor: CALCIUM ION, human calmodulin/connexin-36 peptide hybrid
Authors:Donaldson, L.
Deposit date:2015-08-14
Release date:2015-08-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:An investigation of calcium mediate signaling by the Connexin 36 gap junction protein
To be Published
4Q1B
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BU of 4q1b by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 7 {N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide}
Descriptor: Deoxycytidine kinase, N-(2-(3-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)phenoxy)ethyl)methanesulfonamide, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4Q19
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BU of 4q19 by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 5 {5-(4-{[(4,6-DIAMINOPYRIMIDIN-2-YL)SULFANYL]METHYL}-5-PROPYL-1,3-THIAZOL-2-YL)-2-METHOXYPHENOL}
Descriptor: 5-(4-(((4,6-diaminopyrimidin-2-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4Q18
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BU of 4q18 by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 4 [1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol]
Descriptor: 1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
Authors:Nomme, J, Lavie, A.
Deposit date:2014-04-03
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
4QKW
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BU of 4qkw by Molmil
Crystal structure of the zebrafish cavin4a HR1 domain
Descriptor: CHLORIDE ION, Muscle-related coiled-coil protein
Authors:Kovtun, O, Tillu, V, Parton, R.G, Collins, B.M.
Deposit date:2014-06-10
Release date:2015-03-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the organization of the cavin membrane coat complex
Dev.Cell, 31, 2014
4QXT
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BU of 4qxt by Molmil
Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with FC27-MSP2 14-30
Descriptor: Fv fragment(mAb6D8) heavy chain, Fv fragment(mAb6D8) light chain, Merozoite surface antigen 2
Authors:Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S.
Deposit date:2014-07-22
Release date:2015-06-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate.
Sci Rep, 5, 2015
4R0G
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BU of 4r0g by Molmil
Crystal structure of Lpg0393 from Legionella pneumophila
Descriptor: Uncharacterized protein
Authors:Sohn, Y.S, Shin, H.C, Oh, B.H.
Deposit date:2014-07-31
Release date:2015-04-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Lpg0393 of Legionella pneumophila Is a Guanine-Nucleotide Exchange Factor for Rab5, Rab21 and Rab22
Plos One, 10, 2015

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