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7MES
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BU of 7mes by Molmil
Structure of ALDH4A1 complexed with trans-4-Hydroxy-D-proline
Descriptor: (4S)-4-hydroxy-D-proline, DI(HYDROXYETHYL)ETHER, Delta-1-pyrroline-5-carboxylate dehydrogenase, ...
Authors:Bogner, A.N, Stiers, K.M, Tanner, J.J.
Deposit date:2021-04-07
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structural basis for the stereospecific inhibition of the dual proline/hydroxyproline catabolic enzyme ALDH4A1 by trans-4-hydroxy-L-proline.
Protein Sci., 30, 2021
7AA2
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BU of 7aa2 by Molmil
Chaetomium thermophilum FAD-dependent oxidoreductase in complex with ABTS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-ETHYL-2-[(2Z)-2-(3-ETHYL-6-SULFO-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)HYDRAZINO]-6-SULFO-3H-1,3-BENZOTHIAZOL-1-IUM, ...
Authors:Svecova, L, Skalova, T, Kolenko, P, Koval, T, Oestergaard, L.H, Dohnalek, J.
Deposit date:2020-09-03
Release date:2021-05-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum.
Acta Crystallogr D Struct Biol, 77, 2021
6ZW8
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BU of 6zw8 by Molmil
Isopenicillin N synthase in complex with Cd and ACV.
Descriptor: CADMIUM ION, GLYCEROL, Isopenicillin N synthase, ...
Authors:Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
Deposit date:2020-07-27
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
7T2X
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BU of 7t2x by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 2-chloro-4-((4-hydroxybenzyl)amino)-5-phenylthieno[2,3-d]pyrimidin-6-ol and GRIP Peptide
Descriptor: Estrogen receptor, Nuclear receptor coactivator 2, S-(2-chloro-6-{[(4-hydroxyphenyl)methyl]amino}pyrimidin-4-yl) phenylethanethioate
Authors:Joiner, C, Sammeta, V.K.R, Norris, J.D, McDonnell, D.P, Wilson, T.M, Fanning, S.W.
Deposit date:2021-12-06
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A New Chemotype of Chemically Tractable Nonsteroidal Estrogens Based on a Thieno[2,3- d ]pyrimidine Core.
Acs Med.Chem.Lett., 13, 2022
6XFI
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BU of 6xfi by Molmil
Crystal Structures of beta-1,4-N-Acetylglucosaminyltransferase 2 (POMGNT2): Structural Basis for Inherited Muscular Dystrophies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Protein O-linked-mannose beta-1,4-N-acetylglucosaminyltransferase 2, ...
Authors:Halmo, S.M, Yeh, J, Wells, L, Moremen, K.W, Lanzilotta, W.N.
Deposit date:2020-06-15
Release date:2021-04-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of beta-1,4-N-acetylglucosaminyltransferase 2: structural basis for inherited muscular dystrophies.
Acta Crystallogr D Struct Biol, 77, 2021
6XI2
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BU of 6xi2 by Molmil
Apo form of POMGNT2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA, ALA-GLY-ALA-GLY-ALA-ALA-ALA-ALA-ALA-ALA, ...
Authors:Halmo, S.M, Yeh, J, Wells, L, Moremen, K.W, Lanzilotta, W.N.
Deposit date:2020-06-19
Release date:2021-04-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Crystal structures of beta-1,4-N-acetylglucosaminyltransferase 2: structural basis for inherited muscular dystrophies.
Acta Crystallogr D Struct Biol, 77, 2021
8SG0
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BU of 8sg0 by Molmil
Crystal Structure of GDP-manose 3,5 epimerase de Myrciaria dubia in complex with substrate, product and NAD
Descriptor: GDP-mannose 3,5-epimerase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, GUANOSINE-5'-DIPHOSPHATE-BETA-L-GALACTOSE, ...
Authors:Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C.
Deposit date:2023-04-11
Release date:2024-03-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit camu-camu.
J.Exp.Bot., 75, 2024
3EHB
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BU of 3ehb by Molmil
A D-Pathway Mutation Decouples the Paracoccus Denitrificans Cytochrome c Oxidase by Altering the side chain orientation of a distant, conserved Glutamate
Descriptor: CALCIUM ION, COPPER (II) ION, Cytochrome c oxidase subunit 1-beta, ...
Authors:Koepke, J, Mueller, H, Peng, G.
Deposit date:2008-09-12
Release date:2008-09-30
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:A d-pathway mutation decouples the paracoccusdenitrificans cytochrome C oxidase by altering the side-chain orientation of a distant conserved glutamate.
J.Mol.Biol., 384, 2008
6FV4
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BU of 6fv4 by Molmil
The structure of N-acetyl-D-glucosamine-6-phosphate deacetylase D267A mutant from Mycobacterium smegmatis in complex with N-acetyl-D-glucosamine-6-phosphate
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, CADMIUM ION, ...
Authors:Ahangar, M.S, Furze, C.M, Guy, C.S, Cooper, C, Maskew, K.S, Graham, B, Cameron, A.D, Fullam, E.
Deposit date:2018-03-01
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.974 Å)
Cite:Structural and functional determination of homologs of theMycobacterium tuberculosis N-acetylglucosamine-6-phosphate deacetylase (NagA).
J. Biol. Chem., 293, 2018
3EKU
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BU of 3eku by Molmil
Crystal Structure of Monomeric Actin bound to Cytochalasin D
Descriptor: (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate, ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, ...
Authors:Nair, U.B, Joel, P.B, Wan, Q, Lowey, S, Rould, M.A, Trybus, K.M.
Deposit date:2008-09-19
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of monomeric actin bound to cytochalasin D.
J.Mol.Biol., 384, 2008
4Y6S
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BU of 4y6s by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC134, and manganese
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2015-02-13
Release date:2015-04-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
8KE2
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BU of 8ke2 by Molmil
PylRS C-terminus domain mutant bound with L-3-trifluoromethylphenylalanine and AMPNP
Descriptor: (2S)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Weng, J.H, Tsai, M.D, Wang, Y.S.
Deposit date:2023-08-11
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.19639969 Å)
Cite:Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids.
Front Genet, 14, 2023
8KE6
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BU of 8ke6 by Molmil
PylRS C-terminus domain mutant bound with L-3-chlorophenylalanine and AMPNP
Descriptor: 3-CHLORO-L-PHENYLALANINE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Weng, J.H, Tsai, M.D, Wang, Y.S.
Deposit date:2023-08-11
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.89570856 Å)
Cite:Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids.
Front Genet, 14, 2023
8KE1
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BU of 8ke1 by Molmil
PylRS C-terminus domain mutant bound with L-3-bromophenylalanine and AMPNP
Descriptor: 3-bromo-L-phenylalanine, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Weng, J.H, Tsai, M.D, Wang, Y.S.
Deposit date:2023-08-11
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.50081539 Å)
Cite:Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids.
Front Genet, 14, 2023
6VAW
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BU of 6vaw by Molmil
Peanut lectin complexed with N-beta-D-galactopyranosyl-L-succinamoyl derivative (NGS)
Descriptor: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ...
Authors:Otero, L.H, Primo, E.D, Cagnoni, A.J, Klinke, S, Goldbaum, F.A, Uhrig, M.L.
Deposit date:2019-12-18
Release date:2020-10-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands.
Acta Crystallogr D Struct Biol, 76, 2020
4NP9
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BU of 4np9 by Molmil
Structure of Rabphilin C2A domain bound to IP3
Descriptor: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Rabphilin-3A, SULFATE ION
Authors:Guillen, J, Ferrer-Orta, C, Buxaderas, M, Perez-Sanchez, D, Guerrero-Valero, M, Luengo-Gil, G, Pous, J, Guerra, P, Gomez-Fernandez, J.C, Verdaguer, N, Corbalan-Garcia, S.
Deposit date:2013-11-21
Release date:2013-12-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural insights into the Ca2+ and PI(4,5)P2 binding modes of the C2 domains of rabphilin 3A and synaptotagmin 1.
Proc.Natl.Acad.Sci.USA, 110, 2013
6VAV
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BU of 6vav by Molmil
Peanut lectin complexed with divalent N-beta-D-galactopyranosyl-L-succinamoyl derivative (diNGS)
Descriptor: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ...
Authors:Otero, L.H, Primo, E.D, Cagnoni, A.J, Klinke, S, Goldbaum, F.A, Uhrig, M.L.
Deposit date:2019-12-18
Release date:2020-10-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands.
Acta Crystallogr D Struct Biol, 76, 2020
5LR3
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BU of 5lr3 by Molmil
RNA duplex has central consecutive GA pairs flanked by G-U basepairs
Descriptor: RNA (5'-R(*GP*(CBV)P*CP*GP*GP*AP*UP*GP*GP*C)-3'), SULFATE ION
Authors:Huang, L, Lilley, D.M.J.
Deposit date:2016-08-18
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Control of box C/D snoRNP assembly by N(6)-methylation of adenine.
EMBO Rep., 18, 2017
6OJS
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BU of 6ojs by Molmil
Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP, MTX and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-D-glutamic acid
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ...
Authors:Czyzyk, D.J, Anderson, K.S, Jorgensen, W.L, Valhondo, M.
Deposit date:2019-04-12
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.214 Å)
Cite:Understanding the structural basis of species selective, stereospecific inhibition for Cryptosporidium and human thymidylate synthase.
Febs Lett., 593, 2019
8D5R
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BU of 8d5r by Molmil
Structure of Y430F D-ornithine/D-lysine decarboxylase complex with D-ornithine
Descriptor: 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ACETATE ION, ...
Authors:Phillips, R.S, Nguyen Hoang, K.N.
Deposit date:2022-06-06
Release date:2022-11-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:The Y430F mutant of Salmonella d-ornithine/d-lysine decarboxylase has altered stereospecificity and a putrescine allosteric activation site.
Arch.Biochem.Biophys., 731, 2022
3ESJ
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BU of 3esj by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one, GERANYL DIPHOSPHATE, ...
Authors:Hunter, W.N, Ramsden, N.L.
Deposit date:2008-10-06
Release date:2009-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy
J.Med.Chem., 52, 2009
5LQO
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BU of 5lqo by Molmil
RNA duplex has central consecutive GA pairs flanked by G-C basepairs
Descriptor: RNA (5'-R(*GP*(CBV)P*CP*GP*GP*AP*CP*GP*GP*C)-3')
Authors:Huang, L, Lilley, D.M.J.
Deposit date:2016-08-17
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Control of box C/D snoRNP assembly by N(6)-methylation of adenine.
EMBO Rep., 18, 2017
4Y67
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BU of 4y67 by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC176, and manganese
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2015-02-12
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
4Y6P
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BU of 4y6p by Molmil
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC177, and manganese
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CALCIUM ION, ...
Authors:Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
Deposit date:2015-02-13
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase.
J.Med.Chem., 58, 2015
3FMS
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BU of 3fms by Molmil
Crystal structure of TM0439, a GntR transcriptional regulator
Descriptor: ACETATE ION, NICKEL (II) ION, Transcriptional regulator, ...
Authors:Zheng, M, Cooper, D.R, Yu, M, Hung, L.-W, Derewenda, U, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI)
Deposit date:2008-12-22
Release date:2009-02-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Thermotoga maritima TM0439: implications for the mechanism of bacterial GntR transcription regulators with Zn2+-binding FCD domains.
Acta Crystallogr.,Sect.D, 65, 2009

238582

数据于2025-07-09公开中

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