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5LNV
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BU of 5lnv by Molmil
Crystal structure of Arabidopsis thaliana Pdx1-I320 complex from multiple crystals
Descriptor: (4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one, PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ...
Authors:Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I.
Deposit date:2016-08-06
Release date:2017-01-18
Last modified:2018-09-19
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis.
Nat. Chem. Biol., 13, 2017
4D46
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BU of 4d46 by Molmil
Crystal structure of E. coli FabI in complex with NAD and 5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile
Descriptor: 5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Tareilus, M, Schiebel, J, Chang, A, Tonge, P.J, Sotriffer, C.A, Kisker, C.
Deposit date:2014-10-26
Release date:2015-03-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction.
Biochemistry, 54, 2015
1K97
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BU of 1k97 by Molmil
Crystal Structure of E. coli Argininosuccinate Synthetase in complex with Aspartate and Citrulline
Descriptor: ARGININOSUCCINATE SYNTHASE, ASPARTIC ACID, CITRULLINE
Authors:Lemke, C.T, Howell, P.L.
Deposit date:2001-10-26
Release date:2001-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:The 1.6 A crystal structure of E. coli argininosuccinate synthetase suggests a conformational change during catalysis.
Structure, 9, 2001
4D51
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BU of 4d51 by Molmil
Crystal structure of CymA from Klebsiella oxytoca
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CYMA
Authors:van den Berg, B, Bhamidimarri, S.P, Kleinekathoefer, U, Winterhalter, M.
Deposit date:2014-11-01
Release date:2015-06-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Outer-membrane translocation of bulky small molecules by passive diffusion.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
4D5S
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BU of 4d5s by Molmil
Structure of A49 from Vaccinia Virus Western Reserve
Descriptor: A49R
Authors:Neidel, S, Maluquer de Motes, C, Mansur, D.S, Strnadova, P, Smith, G.L, Graham, S.C.
Deposit date:2014-11-07
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Vaccinia Virus Protein A49 is an Unexpected Member of the B-Cell Lymphoma (Bcl)-2 Protein Family
J.Biol.Chem., 290, 2015
2IGI
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BU of 2igi by Molmil
Crystal Structure of E. coli Oligoribonuclease
Descriptor: ACETIC ACID, CADMIUM ION, Oligoribonuclease, ...
Authors:Zuo, Y, Malhotra, A.
Deposit date:2006-09-22
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Oligoribonuclease, the lone essential exoribonuclease in Escherichia coli
To be Published
4D70
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BU of 4d70 by Molmil
Structural, biophysical and biochemical analyses of a Clostridium perfringens Sortase D5 transpeptidase
Descriptor: SORTASE FAMILY PROTEIN
Authors:Suryadinata, R, Seabrook, S, Adams, T.E, Nuttall, S.D, Peat, T.S.
Deposit date:2014-11-19
Release date:2015-07-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural and Biochemical Analyses of a Clostridium Perfringens Sortase D Transpeptidase
Acta Crystallogr.,Sect.D, 71, 2015
5LS1
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BU of 5ls1 by Molmil
CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR166475
Descriptor: 2-[(4-oxidanylidenecyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide, Heat shock protein HSP 90-alpha
Authors:Vallee, F, Dupuy, A.
Deposit date:2016-08-22
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR166475
To Be Published
4D7Q
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BU of 4d7q by Molmil
Crystal structure of a chimeric protein with the Sec7 domain of Legionella pneumophila RalF and the capping domain of Rickettsia prowazekii RalF
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Folly-Klan, M, Sancerne, B, Alix, E, Roy, C.R, Cherfils, J, Campanacci, V.
Deposit date:2014-11-27
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:On the Use of Legionella/Rickettsia Chimeras to Investigate the Structure and Regulation of Rickettsia Effector Ralf.
J.Struct.Biol., 189, 2015
2IIJ
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BU of 2iij by Molmil
Structure of human Asf1a in complex with histone H3
Descriptor: ASF1A protein, Histone H3
Authors:Agez, M, Guerois, R, van Heijenoort, C, Mann, C, Ochsenbein, F.
Deposit date:2006-09-28
Release date:2007-02-13
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the histone chaperone asf1 bound to the histone h3 C-terminal helix and functional insights.
Structure, 15, 2007
6T49
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BU of 6t49 by Molmil
3C-like protease from Southampton virus complexed with FMOPL000582a.
Descriptor: 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-13
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
2IJE
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BU of 2ije by Molmil
Crystal Structure of the Cdc25 domain of RasGRF1
Descriptor: GLYCEROL, Guanine nucleotide-releasing protein
Authors:Freedman, T.S, Kuriyan, J.
Deposit date:2006-09-29
Release date:2006-10-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Ras-induced conformational switch in the Ras activator Son of sevenless.
Proc.Natl.Acad.Sci.Usa, 103, 2006
6T4I
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BU of 6t4i by Molmil
ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand MRL871
Descriptor: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, CHOLESTEROL, GLYCEROL, ...
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2019-10-14
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
2IM1
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BU of 2im1 by Molmil
Crystal structure of poliovirus polymerase complexed with CTP and Mn2+
Descriptor: ACETIC ACID, CYTIDINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Thompson, A.A, Peersen, O.B.
Deposit date:2006-10-03
Release date:2006-12-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Stabilization of Poliovirus Polymerase by NTP Binding and Fingers-Thumb Interactions.
J.Mol.Biol., 366, 2007
4CKN
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BU of 4ckn by Molmil
Structure of an N-terminal fragment of Leishmania SAS-6 containing parts of its coiled coil domain, F257E mutant
Descriptor: SAS-6
Authors:van Breugel, M.
Deposit date:2014-01-07
Release date:2014-03-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the SAS-6 cartwheel hub from Leishmania major.
Elife, 3, 2014
4CT8
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BU of 4ct8 by Molmil
Competence or damage-inducible protein CinA from Thermus thermophilus
Descriptor: CINA-LIKE PROTEIN, GLYCEROL, SODIUM ION, ...
Authors:Derrick, J, Karuppiah, V.
Deposit date:2014-03-12
Release date:2014-10-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structure and Mechanism of the Bifunctional Cina Enzyme from Thermus Thermophilus
J.Biol.Chem., 289, 2014
5LTI
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BU of 5lti by Molmil
Crystal structure of the alpha subunit of heme dependent oxidative N-demethylase (HODM) in complex with the dimethylamine substrate
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYLAMINE, NITRIC OXIDE, ...
Authors:Ortmayer, M, Leys, D.
Deposit date:2016-09-06
Release date:2016-11-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An oxidative N-demethylase reveals PAS transition from ubiquitous sensor to enzyme.
Nature, 539, 2016
1KID
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BU of 1kid by Molmil
GROEL (HSP60 CLASS) FRAGMENT (APICAL DOMAIN) COMPRISING RESIDUES 191-376, MUTANT WITH ALA 262 REPLACED WITH LEU AND ILE 267 REPLACED WITH MET
Descriptor: GROEL (HSP60 CLASS)
Authors:Buckle, A.M, Fersht, A.R.
Deposit date:1996-12-13
Release date:1997-09-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A structural model for GroEL-polypeptide recognition.
Proc.Natl.Acad.Sci.USA, 94, 1997
6T4U
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BU of 6t4u by Molmil
ROR(gamma)t ligand binding domain in complex with 20-alpha-hydroxycholesterol and allosteric ligand MRL871
Descriptor: (3alpha,8alpha)-cholest-5-ene-3,20-diol, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid, GLYCEROL, ...
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2019-10-15
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
4CV8
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BU of 4cv8 by Molmil
MPS1 kinase with 3-aminopyridin-2-one inhibitors
Descriptor: 1,2-ETHANEDIOL, 3-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-2(1H)-one, DUAL SPECIFICITY PROTEIN KINASE TTK
Authors:Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K.
Deposit date:2014-03-24
Release date:2015-04-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Protein Kinase Selectivity of a 3-Aminopyridin-2- One Based Fragment Library, Identification of 3-Amino-5-(Pyridin-4-Yl)Pyridin-2(1H)-One as a Novel Scaffold for Mps1 Inhibition
To be Published
4CKZ
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BU of 4ckz by Molmil
Structure of the Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant
Descriptor: 3-DEHYDROQUINATE DEHYDRATASE
Authors:Otero, J.M, Llamas-Saiz, A.L, Maneiro, M, Peon, A, Sedes, A, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
Deposit date:2014-01-10
Release date:2015-03-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase
To be Published
5LQ7
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BU of 5lq7 by Molmil
Salmonella effector SpvD - G161 variant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Przydacz, M, Grabe, G.J, Holden, D.W, Hare, S.A.
Deposit date:2016-08-16
Release date:2016-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Salmonella Effector SpvD Is a Cysteine Hydrolase with a Serovar-specific Polymorphism Influencing Catalytic Activity, Suppression of Immune Responses, and Bacterial Virulence.
J. Biol. Chem., 291, 2016
4CVW
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BU of 4cvw by Molmil
Structure of the barley limit dextrinase-limit dextrinase inhibitor complex
Descriptor: CALCIUM ION, LIMIT DEXTRINASE, LIMIT DEXTRINASE INHIBITOR
Authors:Moeller, M.S, Vester-Christensen, M.B, Jensen, J.M, Abou Hachem, M, Henriksen, A, Svensson, B.
Deposit date:2014-03-31
Release date:2015-04-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Crystal Structure of Barley Limit Dextrinase:Limit Dextrinase Inhibitor (Ld:Ldi) Complex Reveals Insights Into Mechanism and Diversity of Cereal-Type Inhibitors.
J.Biol.Chem., 290, 2015
4CL7
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BU of 4cl7 by Molmil
Crystal structure of VEGFR-1 domain 2 in presence of Cobalt
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1
Authors:Gaucher, J.-F, Reille-Seroussi, M, Gagey-Eilstein, N, Broussy, S, Coric, P, Seijo, B, Lascombe, M.-B, Gautier, B, Liu, W.-Q, Huguenot, F, Inguimbert, N, Bouaziz, S, Vidal, M, Broutin, I.
Deposit date:2014-01-13
Release date:2015-01-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biophysical Studies of the Induced Dimerization of Human Vegf R Receptor 1 Binding Domain by Divalent Metals Competing with Vegf-A
Plos One, 11, 2016
5LTZ
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BU of 5ltz by Molmil
GmhA_mutant Q175E
Descriptor: 1,2-ETHANEDIOL, D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Vivoli, M, Harmer, N.J.
Deposit date:2016-09-07
Release date:2017-12-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017

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