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4GY9
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BU of 4gy9 by Molmil
Crystal Structure of Medicago truncatula Nodulin 13 (MtN13) in complex with N6-isopentenyladenine (2iP)
Descriptor: MALONATE ION, MtN13 protein, N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE, ...
Authors:Ruszkowski, M, Sikorski, M, Jaskolski, M.
Deposit date:2012-09-05
Release date:2013-09-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The landscape of cytokinin binding by a plant nodulin.
Acta Crystallogr.,Sect.D, 69, 2013
4GNP
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BU of 4gnp by Molmil
Structure of rat cytosolic PEPCK Ld_3g in complex with PEP and GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, PHOSPHOENOLPYRUVATE, ...
Authors:Johnson, T.A, Holyoak, T.
Deposit date:2012-08-17
Release date:2013-07-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.744 Å)
Cite:The {Omega}-loop lid domain of phosphoenolpyruvate carboxykinase is essential for catalytic function.
Biochemistry, 51, 2012
4H23
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BU of 4h23 by Molmil
Cytochrome P411BM3-CIS cyclopropanation catalyst
Descriptor: Cytochrome P450-BM3 variant P411BM3-Cis, PROTOPORPHYRIN IX CONTAINING FE
Authors:Coelho, P.S, Wang, Z.J, Ener, M.E, Baril, S.A, Kannan, A, Arnold, F.H, Brustad, E.M.
Deposit date:2012-09-11
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A serine-substituted P450 catalyzes highly efficient carbene transfer to olefins in vivo.
Nat.Chem.Biol., 9, 2013
4H8J
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BU of 4h8j by Molmil
Structure of GluA2-LBD in complex with MES
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutamate receptor 2, ...
Authors:Reiter, A, Skerra, A, Trauner, D, Schiefner, A.
Deposit date:2012-09-22
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of an artificial photoreceptor
To be Published
4GX4
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BU of 4gx4 by Molmil
AMP Complexes of Porcine Liver Fructose-1,6-bisphosphatase with mutation R22M
Descriptor: 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
Authors:Gao, Y, Honzatko, R.B.
Deposit date:2012-09-03
Release date:2013-09-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Dimer-dimer Interface in Porcine Liver Fructose-1,6-bisphosphatase is Essential in Cooperative Binding of AMP
To be Published
4H9T
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BU of 4h9t by Molmil
Structure of Geobacillus kaustophilus lactonase, mutant E101N with bound N-butyryl-DL-homoserine lactone
Descriptor: FE (III) ION, MANGANESE (II) ION, N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide, ...
Authors:Xue, B, Chow, J.Y, Yew, W.S, Robinson, R.C.
Deposit date:2012-09-24
Release date:2012-11-07
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Structural evidence of a productive active site architecture for an evolved quorum-quenching GKL lactonase.
Biochemistry, 52, 2013
3DP0
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BU of 3dp0 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3m
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ...
Authors:Zhang, L, He, L, Liu, X, Liu, H, Shen, X, Jiang, H.
Deposit date:2008-07-07
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
J.Med.Chem., 52, 2009
4HBV
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BU of 4hbv by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolin ligand
Descriptor: 1,2-ETHANEDIOL, 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2012-09-28
Release date:2012-10-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.
J.Med.Chem., 55, 2012
4H09
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BU of 4h09 by Molmil
Crystal structure of a leucine-rich repeat protein (EUBVEN_01088) from Eubacterium ventriosum ATCC 27560 at 2.50 A resolution
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hypothetical leucine rich repeat protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-09-07
Release date:2012-10-10
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a hypothetical leucine rich repeat protein (EUBVEN_01088) from Eubacterium ventriosum ATCC 27560 at 2.50 A resolution (CASP Target)
To be Published
4H1G
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BU of 4h1g by Molmil
Structure of Candida albicans Kar3 motor domain fused to maltose-binding protein
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Allingham, J.A, Duan, D, Delorme, C, Joshi, M.
Deposit date:2012-09-10
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of the Candida albicans Kar3 kinesin motor domain fused to maltose-binding protein.
Biochem.Biophys.Res.Commun., 428, 2012
3DRH
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BU of 3drh by Molmil
Crystal structure of Lactococcal OppA co-crystallized with Leu-enkephalin in an open conformation
Descriptor: Oligopeptide-binding protein oppA, peptide AAAAAA
Authors:Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J.
Deposit date:2008-07-11
Release date:2009-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structural basis for peptide selection by the transport receptor OppA
Embo J., 28, 2009
4H1T
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BU of 4h1t by Molmil
X-RAY Structure of the Complex VchUPh with Phosphate ion at 1.92A Resolution.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Sotnichenko, S.E, Betzel, C, Mikhailov, A.M.
Deposit date:2012-09-11
Release date:2013-09-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.924 Å)
Cite:X-RAY Structure of the Complex VchUPh with Phosphate ion at 1.92A Resolution.
TO BE PUBLISHED
3DRF
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BU of 3drf by Molmil
Lactococcal OppA complexed with an endogenous peptide in the closed conformation
Descriptor: Oligopeptide-binding protein oppA, endogenous peptide
Authors:Berntsson, R.P.-A, Doeven, M.K, Duurkens, R.H, Sengupta, D, Marrink, S.-J, Thunnissen, A.-M, Poolman, B, Slotboom, D.-J.
Deposit date:2008-07-11
Release date:2009-03-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The structural basis for peptide selection by the transport receptor OppA
Embo J., 28, 2009
4H2S
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BU of 4h2s by Molmil
Crystal structure of Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with cognate carrier protein and AMP
Descriptor: 4'-PHOSPHOPANTETHEINE, ACETATE ION, ADENOSINE MONOPHOSPHATE, ...
Authors:Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M.
Deposit date:2012-09-13
Release date:2013-03-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation.
Structure, 21, 2013
4H4G
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BU of 4h4g by Molmil
Crystal Structure of (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase from Burkholderia thailandensis E264
Descriptor: (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase
Authors:Craig, T.K, Edwards, T.E, Staker, B, Stewart, L, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-09-17
Release date:2012-10-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
4H6C
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BU of 4h6c by Molmil
Crystal Structure of the Allene Oxide Cyclase 1 from Physcomitrella patens
Descriptor: Allene oxide cyclase, HEXANE-1,6-DIOL, PHOSPHATE ION
Authors:Neumann, P, Ficner, R.
Deposit date:2012-09-19
Release date:2012-10-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structures of Physcomitrella patens AOC1 and AOC2: Insights into the Enzyme Mechanism and Differences in Substrate Specificity.
Plant Physiol., 160, 2012
4HAC
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BU of 4hac by Molmil
Crystal Structure of the Mevalonate Kinase from an Archaeon Methanosarcina mazei
Descriptor: MAGNESIUM ION, Mevalonate kinase
Authors:Zhuang, N, Lee, K.H.
Deposit date:2012-09-26
Release date:2012-12-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystallization and preliminary X-ray diffraction analysis of mevalonate kinase from Methanosarcina mazei.
Acta Crystallogr.,Sect.F, 68, 2012
3DKR
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BU of 3dkr by Molmil
Snapshots of esterase D from lactobacillus rhamnosus: Insights into a rotation driven catalytic mechanism
Descriptor: ACETATE ION, Esterase D
Authors:Bennett, M.D, Delabre, M.-L, Holland, R, Norris, G.E.
Deposit date:2008-06-25
Release date:2009-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of esterase D from lactobacillus rhamnosus
To be Published
4IFU
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BU of 4ifu by Molmil
Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, apo form
Descriptor: FAD:protein FMN transferase, MAGNESIUM ION
Authors:Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V.
Deposit date:2012-12-15
Release date:2013-02-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8334 Å)
Cite:The TP0796 Lipoprotein of Treponema pallidum Is a Bimetal-dependent FAD Pyrophosphatase with a Potential Role in Flavin Homeostasis.
J.Biol.Chem., 288, 2013
4IP0
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BU of 4ip0 by Molmil
X-Ray Structure of the Complex Uridine Phosphorylase from Vibrio cholerae with Phosphate Ion at 1.29 A Resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, ETHANOL, ...
Authors:Prokofev, I.I, Lashkov, A.A, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M.
Deposit date:2013-01-09
Release date:2014-08-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.294 Å)
Cite:X-ray structures of uridine phosphorylase from Vibrio cholerae in complexes with uridine, thymidine, uracil, thymine, and phosphate anion: Substrate specificity of bacterial uridine phosphorylases
Crystallography Reports, 61, 2016
3FME
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BU of 3fme by Molmil
Crystal Structure of Human Mitogen-Activated Protein Kinase Kinase 6 (MEK6) Activated Mutant (S207D, T211D)
Descriptor: Dual specificity mitogen-activated protein kinase kinase 6, STAUROSPORINE
Authors:Filippakopoulos, P, Barr, A, Pike, A.C.W, Berridge, G, Elkins, J, Fedorov, O, Keates, T, Savitsky, P, Soundararajan, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-12-21
Release date:2009-01-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal Structure of Human Mitogen-Activated Protein Kinase Kinase 6 (MEK6) Activated Mutant (S207D, T211D)
To be Published
3FNA
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BU of 3fna by Molmil
Crystal structure of the CBS pair of possible D-arabinose 5-phosphate isomerase yrbH from Escherichia coli CFT073
Descriptor: ADENOSINE MONOPHOSPHATE, Possible arabinose 5-phosphate isomerase
Authors:Cuff, M.E, Bigelow, L, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-12-23
Release date:2009-01-27
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The CBS Pair of possible D-arabinose 5-phosphate isomerase yrbH from Escherichia coli CFT073
TO BE PUBLISHED
4IIV
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BU of 4iiv by Molmil
Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Escherichia coli strain CFT073 complexed with NADP+ at 2.5 A resolution
Descriptor: 3-oxoacyl-[acyl-carrier protein] reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hou, J, Osinski, T, Zheng, H, Shumilin, I, Shabalin, I, Shatsman, S, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-12-20
Release date:2013-01-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from Escherichia coli strain CFT073 complexed with NADP+ at 2.5 A resolution
To be Published
4IP7
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BU of 4ip7 by Molmil
Structure of the S12D variant of human liver pyruvate kinase in complex with citrate and FBP.
Descriptor: 1,2-ETHANEDIOL, 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE, ...
Authors:Holyoak, T, Fenton, A.W.
Deposit date:2013-01-09
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Energetic Coupling between an Oxidizable Cysteine and the Phosphorylatable N-Terminus of Human Liver Pyruvate Kinase.
Biochemistry, 52, 2013
4ILK
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BU of 4ilk by Molmil
Crystal structure of short chain alcohol dehydrogenase (rspB) from E. coli CFT073 (EFI TARGET EFI-506413) complexed with cofactor NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MANGANESE (II) ION, Starvation sensing protein rspB, ...
Authors:Lukk, T, Wichelecki, D, Imker, H.J, Gerlt, J.A, Nair, S.K.
Deposit date:2012-12-31
Release date:2013-01-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Crystal structure of short chain alcohol dehydrogenase (rspB) from E. coli CFT073 (EFI TARGET EFI-506413) complexed with cofactor NADH
To be Published

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