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2QCD
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BU of 2qcd by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain of human UMP synthase bound to UMP
Descriptor: URIDINE-5'-MONOPHOSPHATE, Uridine 5'-monophosphate synthase (UMP synthase)
Authors:Wittmann, J, Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCC
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BU of 2qcc by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain of human UMP synthase, apo form
Descriptor: GLYCEROL, Orotidine 5'- phosphate decarboxylase (OMPdecase), SULFATE ION
Authors:Wittmann, J, Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCL
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Crystal structure of the orotidine-5'-monophosphate decarboxylase domain (Asp312Asn mutant) of human UMP synthase bound to OMP
Descriptor: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, Uridine 5'-monophosphate synthase (UMP synthase)
Authors:Wittmann, J, Rudolph, M.
Deposit date:2007-06-19
Release date:2007-11-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2UUY
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Structure of a tick tryptase inhibitor in complex with bovine trypsin
Descriptor: CALCIUM ION, CATIONIC TRYPSIN, CHLORIDE ION, ...
Authors:Siebold, C, Paesen, G.C, Harlos, K, Peacey, M.F, Nuttall, P.A, Stuart, D.I.
Deposit date:2007-03-08
Release date:2007-04-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:A Tick Protein with a Modified Kunitz Fold Inhibits Human Tryptase.
J.Mol.Biol., 368, 2007
2VCL
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BU of 2vcl by Molmil
Structure of Phycoerythrobilin Synthase PebS from the Cyanophage P-SSM2 in the substrate free form
Descriptor: CYANOBACTERIAL PHYCOERYTHROBILIN, GLYCEROL
Authors:Dammeyer, T, Hofmann, E, Frankenberg-Dinkel, N.
Deposit date:2007-09-25
Release date:2008-08-05
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Phycoerythrobilin Synthase (Pebs) of a Marine Virus: Crystal Structures of the Biliverdin Complex and the Substrate-Free Form.
J.Biol.Chem., 283, 2008
2V1V
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BU of 2v1v by Molmil
3D STRUCTURE OF THE M8L MUTANT OF SQUASH TRYPSIN INHIBITOR CMTI-I
Descriptor: TRYPSIN INHIBITOR 1
Authors:Sledz, P, Bolewska, K, Bierzynski, A, Zhukov, I.
Deposit date:2007-05-30
Release date:2007-06-19
Last modified:2019-10-09
Method:SOLUTION NMR
Cite:Conservative mutation Met8 --> Leu affects the folding process and structural stability of squash trypsin inhibitor CMTI-I.
Protein Sci., 9, 2000
2V7B
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BU of 2v7b by Molmil
Crystal structures of a benzoate CoA ligase from Burkholderia xenovorans LB400
Descriptor: BENZOATE-COENZYME A LIGASE, BENZOIC ACID
Authors:J Boulanger, M, Bains, J.
Deposit date:2007-07-27
Release date:2007-10-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Biochemical and Structural Characterization of the Paralogous Benzoate Coa Ligases from Burkholderia Xenovorans Lb400: Defining the Entry Point Into the Novel Benzoate Oxidation (Box) Pathway.
J.Mol.Biol., 373, 2007
6OEZ
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BU of 6oez by Molmil
Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor (+)-N-(Cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrro-lidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, N-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine, ...
Authors:Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F.
Deposit date:2019-03-28
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase.
Chemistry, 25, 2019
3DQX
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BU of 3dqx by Molmil
chicken c-Src kinase domain in complex with ATPgS
Descriptor: ADENOSINE MONOPHOSPHATE, Proto-oncogene tyrosine-protein kinase Src
Authors:Azam, M, Seeliger, M.A, Gray, N, Kuriyan, J, Daley, G.Q.
Deposit date:2008-07-09
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Activation of tyrosine kinases by mutation of the gatekeeper threonine.
Nat.Struct.Mol.Biol., 15, 2008
3DZO
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BU of 3dzo by Molmil
Crystal structure of a rhoptry kinase from toxoplasma gondii
Descriptor: MAGNESIUM ION, Rhoptry kinase domain
Authors:Wernimont, A.K, Lam, A, Ali, A, Lin, Y.H, Ni, S, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Wilkstrom, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Sibley, D, Hui, R, Qiu, W, Structural Genomics Consortium (SGC)
Deposit date:2008-07-30
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel structural and regulatory features of rhoptry secretory kinases in Toxoplasma gondii.
Embo J., 28, 2009
4IAH
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BU of 4iah by Molmil
Crystal Structure of BAY 60-2770 bound C139A H-NOX domain with S-nitrosylated conserved C122
Descriptor: 4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid, Alr2278 protein, MALONATE ION
Authors:Kumar, V, van den Akker, F.
Deposit date:2012-12-06
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insights into BAY 60-2770 Activation and S-Nitrosylation-Dependent Desensitization of Soluble Guanylyl Cyclase via Crystal Structures of Homologous Nostoc H-NOX Domain Complexes.
Biochemistry, 52, 2013
6UVD
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BU of 6uvd by Molmil
Crystal structure of BCL-XL bound to compound 2: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid
Descriptor: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
Authors:Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E.
Deposit date:2019-11-02
Release date:2021-05-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
8FAV
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BU of 8fav by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 5 ANDINDAZOLE ACID BOUND IN H12-POCKET
Descriptor: 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, Nuclear receptor ROR-gamma, ...
Authors:Vajdos, F.F.
Deposit date:2022-11-28
Release date:2023-03-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists.
Acs Med.Chem.Lett., 14, 2023
6ITK
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BU of 6itk by Molmil
Crystal structure of malate dehydrogenase from Corynebacterium glutamicum ATCC 13032 in complex with NAD and malate
Descriptor: (2S)-2-hydroxybutanedioic acid, Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Seo, H, Kim, K.-J.
Deposit date:2018-11-23
Release date:2019-11-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enhanced succinic acid production by Mannheimia employing optimal malate dehydrogenase.
Nat Commun, 11, 2020
3I6Y
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BU of 3i6y by Molmil
Structure of an esterase from the oil-degrading bacterium Oleispira antarctica
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Singer, A.U, Evdokimova, E, Kagan, O, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-07-07
Release date:2009-07-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and activity of the cold-active and anion-activated carboxyl esterase OLEI01171 from the oil-degrading marine bacterium Oleispira antarctica.
Biochem.J., 445, 2012
3WLC
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BU of 3wlc by Molmil
Crystal structure of dimeric GCaMP6m
Descriptor: CALCIUM ION, Myosin light chain kinase, Green fluorescent protein, ...
Authors:Ding, J, Luo, A.F, Hu, L.Y, Wang, D.C, Shao, F.
Deposit date:2013-11-08
Release date:2014-01-22
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural basis of the ultrasensitive calcium indicator GCaMP6.
Sci China Life Sci, 57, 2014
4UHV
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BU of 4uhv by Molmil
The structure of VgrG1, the needle tip of the bacterial Type VI Secretion System
Descriptor: CHLORIDE ION, SODIUM ION, VGRG1, ...
Authors:Spinola-Amilibia, M, Davo-Siguero, I, Ruiz, F.M, Santillana, E, Medrano, F.J, Romero, A.
Deposit date:2015-03-25
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structure of Vgrg1 from Pseudomonas Aeruginosa, the Needle Tip of the Bacterial Type Vi Secretion System
Acta Crystallogr.,Sect.D, 72, 2016
1YHM
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BU of 1yhm by Molmil
Structure of the complex of Trypanosoma cruzi farnesyl disphosphate synthase with alendronate, Isopentenyl diphosphate and mg+2
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, MAGNESIUM ION, ...
Authors:Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M.
Deposit date:2005-01-09
Release date:2005-12-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design.
Proteins, 62, 2005
6G0N
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BU of 6g0n by Molmil
Crystal Structure of a GH8 catalytic mutant xylohexaose complex xylanase from Teredinibacter turnerae
Descriptor: GLYCEROL, Glycoside hydrolase family 8 domain protein, beta-D-xylopyranose, ...
Authors:Fowler, C.A, Davies, G.J, Walton, P.H.
Deposit date:2018-03-19
Release date:2018-10-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae.
Acta Crystallogr D Struct Biol, 74, 2018
6G6E
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BU of 6g6e by Molmil
Crystal structure of a parallel seven-helix coiled coil CC-Type2-deLI
Descriptor: CC-Type2-deLI, GLYCEROL
Authors:Rhys, G.G, Brady, R.L, Woolfson, D.N.
Deposit date:2018-04-01
Release date:2018-10-17
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Maintaining and breaking symmetry in homomeric coiled-coil assemblies.
Nat Commun, 9, 2018
6K1I
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BU of 6k1i by Molmil
Human nucleosome core particle with gammaH2A.X variant
Descriptor: CHLORIDE ION, DNA (147-MER), Histone H2AX, ...
Authors:Sharma, D, De Falco, L, Davey, C.A.
Deposit date:2019-05-10
Release date:2020-01-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
8IH0
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BU of 8ih0 by Molmil
Crystal structure of GH11 from Thermoanaerobacterium saccharolyticum
Descriptor: ACETATE ION, Endo-1,4-beta-xylanase
Authors:Nam, K.H.
Deposit date:2023-02-22
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Characterization and structural analysis of the endo-1,4-beta-xylanase GH11 from the hemicellulose-degrading Thermoanaerobacterium saccharolyticum useful for lignocellulose saccharification.
Sci Rep, 13, 2023
8IH1
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BU of 8ih1 by Molmil
Room temperature structure of GH11 from Thermoanaerobacterium saccharolyticum by serial crystallography
Descriptor: ACETATE ION, Endo-1,4-beta-xylanase
Authors:Nam, K.H.
Deposit date:2023-02-22
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Characterization and structural analysis of the endo-1,4-beta-xylanase GH11 from the hemicellulose-degrading Thermoanaerobacterium saccharolyticum useful for lignocellulose saccharification.
Sci Rep, 13, 2023
6K1J
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BU of 6k1j by Molmil
Human nucleosome core particle with H2A.X variant
Descriptor: CHLORIDE ION, DNA (145-MER), Histone H2AX, ...
Authors:Sharma, D, De Falco, L, Davey, C.A.
Deposit date:2019-05-10
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
6HSU
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BU of 6hsu by Molmil
The crystal structure of type II Dehydroquinase from Psychromonas ingrahamii 37, crystal form 2
Descriptor: 3-dehydroquinate dehydratase, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, GLYCEROL, ...
Authors:Lapthorn, A.J, Roszak, A.W.
Deposit date:2018-10-01
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of type II Dehydroquinase from Psychromonas ingrahamii 37
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