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6KEZ
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BU of 6kez by Molmil
Crystal structure of GAPDH/CP12/PRK complex from Arabidopsis thaliana
Descriptor: Calvin cycle protein CP12-2, Glyceraldehyde-3-phosphate dehydrogenase GAPA1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Yu, A, Xie, Y, Li, M.
Deposit date:2019-07-05
Release date:2020-05-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Photosynthetic Phosphoribulokinase Structures: Enzymatic Mechanisms and the Redox Regulation of the Calvin-Benson-Bassham Cycle.
Plant Cell, 32, 2020
3EEI
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BU of 3eei by Molmil
Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from neisseria meningitidis in complex with methylthio-immucillin-A
Descriptor: (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, 5-methylthioadenosine nucleosidase/S-adenosylhomocysteine nucleosidase
Authors:Ho, M, Rinaldo-matthis, A, Brown, R.L, Norris, G.E, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L.
Deposit date:2008-09-04
Release date:2009-09-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from neisseria meningitidis in complex with methylthio-immucillin-A
To be Published
3ZN2
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BU of 3zn2 by Molmil
protein engineering of halohydrin dehalogenase
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ACETATE ION, HALOHYDRIN DEHALOGENASE, ...
Authors:Schallmey, M, Jekel, P, Tang, L, Majeric-Elenkov, M, Hoeffken, H.W, Hauer, B, Janssen, D.B.
Deposit date:2013-02-13
Release date:2014-03-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Single Point Mutation Enhances Hydroxynitrile Synthesis by Halohydrin Dehalogenase.
Enzyme.Microb.Technol., 70, 2015
5XGV
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BU of 5xgv by Molmil
The structure of Diels-Alderase PyrE3 in the biosynthetic pathway of pyrroindomycins
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, PyrE3
Authors:Pan, L, Gong, Y, Guo, Y.
Deposit date:2017-04-18
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structural Insights into a Flavin-Dependent [4 + 2] Cyclase that Catalyzes trans-Decalin Formation in Pyrroindomycin Biosynthesis.
Cell Chem Biol, 25, 2018
4JFS
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BU of 4jfs by Molmil
Crystal structure of a bacterial fucosidase with iminosugar inhibitor 4-epi-(+)-Codonopsinine
Descriptor: (2S,3S,4R,5S)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Wright, D.W, Davies, G.J.
Deposit date:2013-02-28
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
3HYC
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BU of 3hyc by Molmil
Crystal structure of E. coli phosphatase YrbI, with Mg, tetragonal form
Descriptor: 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, CHLORIDE ION, MAGNESIUM ION
Authors:Tsodikov, O.V, Biswas, T.
Deposit date:2009-06-22
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE.
J.Biol.Chem., 284, 2009
5XHJ
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BU of 5xhj by Molmil
Crystal Structure of P450BM3 with 5-Cyclohexylvaleroyl-L-Tryptophan
Descriptor: 5-cyclohexylpentanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Suzuki, K, Shoji, O, Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2017-04-21
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Control of stereoselectivity of benzylic hydroxylation catalysed by wild-type cytochrome P450BM3 using decoy molecules
CATALYSIS SCIENCE AND TECHNOLOGY, 7, 2017
6JVJ
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BU of 6jvj by Molmil
Crystal structure of human MTH1 in complex with compound MI1006
Descriptor: 5-ethyl-N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine, 7,8-dihydro-8-oxoguanine triphosphatase
Authors:Peng, C, Li, Y.H, Cheng, Y.S.
Deposit date:2019-04-17
Release date:2020-10-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.297 Å)
Cite:Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
4JWT
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BU of 4jwt by Molmil
Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Sulfurimonas denitrificans DSM 1251 (Target NYSGRC-029304 )
Descriptor: 1,2-ETHANEDIOL, ADENINE, Methylthioadenosine nucleosidase
Authors:Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-03-27
Release date:2013-05-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Sulfurimonas denitrificans DSM 1251
To be Published
6JVR
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BU of 6jvr by Molmil
Crystal structure of human MTH1 in complex with compound MI1026
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
Authors:Peng, C, Li, Y.H, Cheng, Y.S.
Deposit date:2019-04-17
Release date:2020-10-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.295 Å)
Cite:Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
4KZO
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BU of 4kzo by Molmil
Crystal Structure Analysis of human IDH1 mutants in complex with NADP+ and Ca2+/alpha-Ketoglutarate
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, CALCIUM ION, ...
Authors:Concha, N.O, Smallwood, A.M.
Deposit date:2013-05-30
Release date:2013-07-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Mutant IDH1 Enhances the Production of 2-Hydroxyglutarate Due to Its Kinetic Mechanism.
Biochemistry, 52, 2013
6JYU
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BU of 6jyu by Molmil
Crystal structure of Human G6PD Canton
Descriptor: Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Au, S.W.N.
Deposit date:2019-04-28
Release date:2020-04-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of Human G6PD Canton
To Be Published
3I43
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BU of 3i43 by Molmil
Escherichia coli Thiol peroxidase (Tpx) wild type disulfide form
Descriptor: CITRIC ACID, Thiol peroxidase
Authors:Hall, A, Karplus, P.A.
Deposit date:2009-07-01
Release date:2009-10-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural changes common to catalysis in the Tpx peroxiredoxin subfamily.
J.Mol.Biol., 393, 2009
2FFZ
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BU of 2ffz by Molmil
Structural Studies Examining the Substrate Specificity Profiles of PC-PLCBc Protein Variants
Descriptor: Phospholipase C, ZINC ION
Authors:Benfield, A.B, Antikainen, N.M, Martin, S.F.
Deposit date:2005-12-20
Release date:2006-03-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural studies examining the substrate specificity profiles of PC-PLC(Bc) protein variants.
Arch.Biochem.Biophys., 460, 2007
3ZV4
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BU of 3zv4 by Molmil
CRYSTAL STRUCTURE OF CIS-BIPHENYL-2,3-DIHYDRODIOL-2,3-DEHYDROGENASE (BPHB) FROM PANDORAEA PNOMENUSA STRAIN B-356 IN APO FORM AT 1.8 ANGSTROM
Descriptor: CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE
Authors:Dhindwal, S, Patil, D.N, Kumar, P.
Deposit date:2011-07-23
Release date:2011-08-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme.
J.Biol.Chem., 286, 2011
3I4Y
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BU of 3i4y by Molmil
Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with 3,5-dichlorocatechol
Descriptor: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 3,5-dichlorobenzene-1,2-diol, Catechol 1,2-dioxygenase, ...
Authors:Matera, I, Ferraroni, M, Kolomytseva, M, Briganti, F, Scozzafava, A.
Deposit date:2009-07-03
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts.
J.Struct.Biol., 170, 2010
3EJD
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BU of 3ejd by Molmil
Crystal Structure of P450BioI in complex with hexadec-9Z-enoic acid ligated Acyl Carrier Protein
Descriptor: Acyl carrier protein, Biotin biosynthesis cytochrome P450-like enzyme, CHLORIDE ION, ...
Authors:Cryle, M.J, Schlichting, I.
Deposit date:2008-09-18
Release date:2008-10-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights from a P450 Carrier Protein complex reveal how specificity is achieved in the P450(BioI) ACP complex.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5XMJ
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BU of 5xmj by Molmil
Crystal structure of quinol:fumarate reductase from Desulfovibrio gigas
Descriptor: DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Guan, H.H, Hsieh, Y.C, Lin, P.R, Chen, C.J.
Deposit date:2017-05-15
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural insights into the electron/proton transfer pathways in the quinol:fumarate reductase from Desulfovibrio gigas.
Sci Rep, 8, 2018
3EJU
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BU of 3eju by Molmil
Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog:(5S)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-swainsonine
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Shea, K, Rose, D.R.
Deposit date:2008-09-18
Release date:2009-10-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II.
Chembiochem, 11, 2010
3I65
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BU of 3i65 by Molmil
Plasmodium falciparum dihydroorotate dehydrogenase bound with triazolopyrimidine-based inhibitor DSM1
Descriptor: 5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium, Dihydroorotate dehydrogenase homolog, mitochondrial, ...
Authors:Deng, X, Phillips, M.A.
Deposit date:2009-07-06
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural plasticity of malaria dihydroorotate dehydrogenase allows selective binding of diverse chemical scaffolds.
J.Biol.Chem., 284, 2009
3EKB
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BU of 3ekb by Molmil
Crystal structure of the A264C mutant heme domain of cytochrome P450 BM3
Descriptor: Cytochrome P450(BM-3), PROTOPORPHYRIN IX CONTAINING FE
Authors:Leys, D.
Deposit date:2008-09-19
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel haem co-ordination variants of flavocytochrome P450BM3.
Biochem.J., 417, 2009
6K12
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BU of 6k12 by Molmil
Babesia microti lactate dehydrogenase apo form (BmLDH)
Descriptor: L-lactate dehydrogenase
Authors:Long, Y.
Deposit date:2019-05-09
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Crystal structures ofBabesia microtilactate dehydrogenase BmLDH reveal a critical role for Arg99 in catalysis.
Faseb J., 33, 2019
5XNL
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BU of 5xnl by Molmil
Structure of stacked C2S2M2-type PSII-LHCII supercomplex from Pisum sativum
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Su, X.D, Ma, J, Wei, X.P, Cao, P, Zhu, D.J, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M.
Deposit date:2017-05-23
Release date:2017-09-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure and assembly mechanism of plant C2S2M2-type PSII-LHCII supercomplex
Science, 357, 2017
5XPF
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BU of 5xpf by Molmil
High-resolution X-ray structure of the T26H mutant of T4 lysozyme
Descriptor: CHLORIDE ION, Endolysin, GLYCEROL, ...
Authors:Hiromoto, T, Kuroki, R.
Deposit date:2017-06-01
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Neutron structure of the T26H mutant of T4 phage lysozyme provides insight into the catalytic activity of the mutant enzyme and how it differs from that of wild type.
Protein Sci., 26, 2017
6K2S
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BU of 6k2s by Molmil
Crystal structure of proteinase K from Engyodontium album
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Sugahara, M, Motomura, K, Numata, K.
Deposit date:2019-05-15
Release date:2020-05-20
Last modified:2025-03-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Viscosity-adjustable grease matrices for serial nanocrystallography.
Sci Rep, 10, 2020

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