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2BRP
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BU of 2brp by Molmil
Crystal structure of S. pneumoniae hyaluronate lyase in complex with W249b
分子名称: D-xylose, HYALURONATE LYASE, SULFAMIC ACID 1-DECYL-2-(4-SULFAMOYLOXYPHENYL)-1H-INDOL-6-YL ESTER, ...
著者Rigden, D.J, Jedrzejas, M.J.
登録日2005-05-10
公開日2006-04-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of new benzoxazole-2-thione-derived inhibitors of Streptococcus pneumoniae hyaluronan lyase: structure of a complex with a 2-phenylindole.
Glycobiology, 16, 2006
6Q1C
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BU of 6q1c by Molmil
Apo YfeA extracted from the E. coli periplasm
分子名称: Periplasmic chelated iron-binding protein YfeA
著者Radka, C.D, Labiuk, S.L, DeLucas, L.J, Aller, S.G.
登録日2019-08-03
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structures of the substrate-binding protein YfeA in apo and zinc-reconstituted holo forms.
Acta Crystallogr D Struct Biol, 75, 2019
4K73
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X-ray crystal structure of an L,D-transpeptidase from Mycobacterium tuberculosis H37Rv
分子名称: CALCIUM ION, L,D-transpeptidase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-04-16
公開日2013-06-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献X-ray crystal structure of an L,D-transpeptidase from Mycobacterium tuberculosis H37Rv (CASP Target)
TO BE PUBLISHED
4K3Z
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BU of 4k3z by Molmil
Crystal structure of D-erythrulose 4-phosphate dehydrogenase from Brucella melitensis, solved by iodide SAD
分子名称: 1,2-ETHANEDIOL, D-erythrulose 4-phosphate dehydrogenase, GLYCEROL
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-04-11
公開日2013-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of D-erythrulose 4-phosphate dehydrogenase from Brucella melitensis, solved by iodide SAD
To be Published
2BMK
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BU of 2bmk by Molmil
Fab fragment of PLP-dependent catalytic antibody 15A9 in complex with phosphopyridoxyl-D-alanine
分子名称: FAB FRAGMENT OF CATALYTIC ANTIBODY 15A9, HEAVY CHAIN, LIGHT CHAIN, ...
著者Golinelli-Pimpaneau, B, Christen, P.
登録日2005-03-14
公開日2006-03-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for D-amino acid transamination by the pyridoxal 5'-phosphate-dependent catalytic antibody 15A9.
J. Biol. Chem., 281, 2006
4ARX
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BU of 4arx by Molmil
Lepidoptera-specific toxin Cry1Ac from Bacillus thuringiensis ssp. kurstaki HD-73
分子名称: 1,3-DIAMINOPROPANE, GLYCEROL, PESTICIDAL CRYSTAL PROTEIN CRY1AC
著者Derbyshire, D.J, Carroll, J, Ellar, D.J, Li, J.
登録日2012-04-27
公開日2013-05-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Basis of Galnac-Dependent Receptor Recognition by B. Thuringiensis Toxin Cry1Ac
To be Published
7ZDN
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BU of 7zdn by Molmil
Human Cyclophilin D in complex with fragment
分子名称: (1~{R},9~{R},10~{S})-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Silva, D.O, Graedler, U, Bandeiras, T.M.
登録日2022-03-29
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Human Cyclophilin D in complex with fragment
To Be Published
1SJJ
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BU of 1sjj by Molmil
Cryo-EM Structure of Chicken Gizzard Smooth Muscle alpha-Actinin
分子名称: actinin
著者Liu, J, Taylor, D.W, Taylor, K.A.
登録日2004-03-03
公開日2004-03-23
最終更新日2024-02-14
実験手法ELECTRON CRYSTALLOGRAPHY (20 Å)
主引用文献A 3-D Reconstruction of Smooth Muscle alpha-Actinin by CryoEm Reveals Two Different Conformations at the Actin-binding Region.
J.Mol.Biol., 338, 2004
4K0W
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BU of 4k0w by Molmil
X-ray crystal structure of OXA-23 A220 duplication clinical variant
分子名称: 1,2-ETHANEDIOL, BICARBONATE ION, Beta-lactamase, ...
著者Kaitany, K.J, Klinger, N.V, Leonard, D.A, Powers, R.A.
登録日2013-04-04
公開日2013-08-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structures of the Class D Carbapenemases OXA-23 and OXA-146: Mechanistic Basis of Activity against Carbapenems, Extended-Spectrum Cephalosporins, and Aztreonam.
Antimicrob.Agents Chemother., 57, 2013
3D2K
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BU of 3d2k by Molmil
Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with [7-(2-{2-[3-(3-chloro-phenyl)-ureido]-thiazol-5-yl}-ethylamino)-pyrazolo[4,3-d]pyrimidin-1-yl]-acetic acid
分子名称: (7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid, serine/threonine kinase 6
著者Elling, R.A, Oslob, J.D, Yu, C, Romanowski, M.J.
登録日2008-05-08
公開日2009-05-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Aurora-A-selective inhibitors
To be Published
4KCW
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BU of 4kcw by Molmil
Pyruvate kinase (PYK) from Trypanosoma brucei soaked with oxalate
分子名称: 2,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ...
著者Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2013-04-24
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Pyruvate kinases have an intrinsic and conserved decarboxylase activity.
Biochem.J., 458, 2014
4V3B
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BU of 4v3b by Molmil
The structure of alpha2,3-sialyltransferase variant 1 from Pasteurella dagmatis in complex with the donor product CMP
分子名称: CYTIDINE-5'-MONOPHOSPHATE, SIALYLTRANSFERASE
著者Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K.
登録日2014-10-17
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign
Chem.Commun.(Camb.), 51, 2015
4AUL
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BU of 4aul by Molmil
Crystal structure, recombinant expression and mutagenesis studies of the bifunctional catalase-phenol oxidase from Scytalidium thermophilum
分子名称: CALCIUM ION, CATALASE-PHENOL OXIDASE, PROTOPORPHYRIN IX CONTAINING FE
著者Yuzugullu, Y, Trinh, C.H, Smith, M.A, Pearson, A.R, Phillips, S.E.V, Sutay Kocabas, D, Bakir, U, Ogel, Z.B, McPherson, M.J.
登録日2012-05-18
公開日2013-02-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity from Scytalidium Thermophilum
Acta Crystallogr.,Sect.D, 69, 2013
4K9F
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BU of 4k9f by Molmil
Neutron structure of Perdeuterated Rubredoxin refined against 1.75 resolution data collected on the new IMAGINE instrument at HFIR, ORNL
分子名称: FE (III) ION, Rubredoxin
著者Munshi, P, Meilleur, F, Myles, D.
登録日2013-04-19
公開日2013-12-04
最終更新日2023-09-20
実験手法NEUTRON DIFFRACTION (1.75 Å)
主引用文献The IMAGINE instrument: first neutron protein structure and new capabilities for neutron macromolecular crystallography.
Acta Crystallogr.,Sect.D, 69, 2013
4V39
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Apo-structure of alpha2,3-sialyltransferase variant 2 from Pasteurella dagmatis
分子名称: SIALYLTRANSFERASE
著者Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K.
登録日2014-10-17
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign
Chem.Commun.(Camb.), 51, 2015
4C27
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Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2-fluoro-4-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)benzamide
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Nalpha-(2-fluoro-4-{4-[4-(trifluoromethyl)phenyl]piperazin-1-yl}benzoyl)-N-pyridin-4-yl-D-tryptophanamide, ...
著者Vieira, D.F, Calvet, C.M, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M.
登録日2013-08-16
公開日2014-09-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51
J.Med.Chem., 57, 2014
4K8G
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BU of 4k8g by Molmil
Crystal structure of D-Mannonate dehydratase from Novosphingobium aromaticivorans mutant (V161A, R163A, K165G, L166A, Y167G, Y168A, E169G)
分子名称: GLYCEROL, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, ...
著者Lukk, T, Wichelecki, D, Gerlt, J.A, Nair, S.K.
登録日2013-04-18
公開日2013-05-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of D-Mannonate dehydratase from Novosphingobium aromaticivorans mutant (V161A, R163A, K165G, L166A, Y167G, Y168A, E169G)
To be Published
4V3C
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The structure of alpha2,3-sialyltransferase variant 2 from Pasteurella dagmatis in complex with the donor product CMP
分子名称: CYTIDINE-5'-MONOPHOSPHATE, SIALYLTRANSFERASE
著者Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K.
登録日2014-10-17
公開日2015-04-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign
Chem.Commun.(Camb.), 51, 2015
1IV1
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Structure of 2C-Methyl-D-erythritol-2,4-cyclodiphosphate Synthase
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase
著者Kishida, H, Wada, T, Unzai, S, Kuzuyama, T, Terada, T, Sirouzu, M, Yokoyama, S, Tame, J.R.H, Park, S.-Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2002-03-11
公開日2002-09-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and catalytic mechanism of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate (MECDP) synthase, an enzyme in the non-mevalonate pathway of isoprenoid synthesis.
Acta Crystallogr.,Sect.D, 59, 2003
1S19
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Crystal structure of VDR ligand binding domain complexed to calcipotriol.
分子名称: CALCIPOTRIOL, Vitamin D3 receptor
著者Tocchini-Valentini, G, Rochel, N, Wurtz, J.M, Moras, D.
登録日2004-01-06
公開日2004-04-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of the vitamin D nuclear receptor liganded with the vitamin D side chain analogues calcipotriol and seocalcitol, receptor agonists of clinical importance. Insights into a structural basis for the switching of calcipotriol to a receptor antagonist by further side chain modification.
J.Med.Chem., 47, 2004
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
分子名称: GDP-mannose 3,5-epimerase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, GUANOSINE-5'-DIPHOSPHATE-BETA-L-GALACTOSE, ...
著者Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C.
登録日2023-04-11
公開日2024-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit camu-camu.
J.Exp.Bot., 75, 2024
1S1O
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NMR Structure of a D,L Alternating pentadecamer of norleucine: double antiparallel beta-helix
分子名称: BOC-L-NLE-(D-NLE-L-NLE)5-D-NLE(METHYL)-L-NLE-D-NLE-L-NLE METHYL ESTER
著者Navarro, E, Fennude, E, Celda, B.
登録日2004-01-07
公開日2004-02-24
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Solution structure of a D,L-alternating oligonorleucine as a model of double-stranded antiparallel beta-helix.
Biopolymers, 64, 2002
1IV3
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Structure of 2C-Methyl-D-erythritol-2,4-cyclodiphosphate Synthase (bound form MG atoms)
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, MAGNESIUM ION
著者Kishida, H, Wada, T, Unzai, S, Kuzuyama, T, Terada, T, Sirouzu, M, Yokoyama, S, Tame, J.R.H, Park, S.-Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2002-03-11
公開日2002-09-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structure and catalytic mechanism of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate (MECDP) synthase, an enzyme in the non-mevalonate pathway of isoprenoid synthesis.
Acta Crystallogr.,Sect.D, 59, 2003
1IV2
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Structure of 2C-Methyl-D-erythritol-2,4-cyclodiphosphate Synthase (bound form CDP)
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Kishida, H, Wada, T, Unzai, S, Kuzuyama, T, Terada, T, Sirouzu, M, Yokoyama, S, Tame, J.R.H, Park, S.-Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2002-03-11
公開日2002-09-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure and catalytic mechanism of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate (MECDP) synthase, an enzyme in the non-mevalonate pathway of isoprenoid synthesis.
Acta Crystallogr.,Sect.D, 59, 2003
8H4E
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Blasnase-T13A/P55N with D-asn
分子名称: D-ASPARAGINE, FORMIC ACID, L-asparaginase, ...
著者Lu, F, Wang, W, Chi, H, Ran, T.
登録日2022-10-10
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structure-based rational design of Bacillus licheniformis L-asparaginase with low/no D-asparaginase activity for a safer enzyme
To Be Published

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