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1DF7
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DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND METHOTREXATE
分子名称: DIHYDROFOLATE REDUCTASE, GLYCEROL, METHOTREXATE, ...
著者Li, R, Sirawaraporn, R, Chitnumsub, P, Sirawaraporn, W, Wooden, J, Athappilly, F, Turley, S, Hol, W.G.
登録日1999-11-17
公開日2000-03-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Three-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs.
J.Mol.Biol., 295, 2000
1DG7
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DIHYDROFOLATE REDUCTASE OF MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH NADPH AND 4-BROMO WR99210
分子名称: 1-[3-(4-BROMO-PHENOXY)-PROPOXY]-6,6-DIMETHYL-1.6-DIHYDRO-[1,3,5]TRIAZINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ...
著者Li, R, Sirawaraporn, R, Chitnumsub, P, Sirawaraporn, W, Wooden, J, Athappilly, F, Turley, S, Hol, W.G.
登録日1999-11-23
公開日2000-03-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional structure of M. tuberculosis dihydrofolate reductase reveals opportunities for the design of novel tuberculosis drugs.
J.Mol.Biol., 295, 2000
5C24
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BU of 5c24 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-((4-((4-cyanophenyl)amino)-1,3,5-triazin-2-yl)amino)-6,8-dimethylindolizine-2-carbonitrile (JLJ605), a non-nucleoside inhibitor
分子名称: 6-({4-[(4-cyanophenyl)amino]-1,3,5-triazin-2-yl}amino)-5,7-dimethylindolizine-2-carbonitrile, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Frey, K.M, Anderson, K.S.
登録日2015-06-15
公開日2015-07-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 25, 2015
2FDE
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Wild type HIV protease bound with GW0385
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-2-HYDROXY-1-{4-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]BENZYL}PROPYL]CARBAMATE, Gag-Pol polyprotein, POTASSIUM ION
著者Xu, R.X.
登録日2005-12-13
公開日2006-02-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Ultra-potent P1 modified arylsulfonamide HIV protease inhibitors: The discovery of GW0385.
Bioorg.Med.Chem.Lett., 16, 2006
5N0H
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Crystal structure of NDM-1 in complex with hydrolyzed meropenem - new refinement
分子名称: (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
著者Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A, King, D.T, Strynadka, N.C.J.
登録日2017-02-03
公開日2017-04-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
7L2G
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BU of 7l2g by Molmil
NMR solution structure of Nak1 from the Necator americanus hookworm
分子名称: ShTK domain protein
著者Smallwood, T.B, Rosengren, K.J, Clark, R.J.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Synthetic hookworm-derived peptides are potent modulators of primary human immune cell function that protect against experimental colitis in vivo.
J.Biol.Chem., 297, 2021
1WZI
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Structural basis for alteration of cofactor specificity of Malate dehydrogenase from Thermus flavus
分子名称: Malate dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Tomita, T, Fushinobu, S, Kuzuyama, T, Nishiyama, M.
登録日2005-03-05
公開日2006-03-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for alteration of cofactor specificity of malate dehydrogenase from Thermus flavus
to be published
7LMM
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BU of 7lmm by Molmil
Crystal structure of bovine DNMT1 BAH1 domain in complex with H4K20me2
分子名称: DNA (cytosine-5)-methyltransferase 1,DNA (cytosine-5)-methyltransferase 1, Histone H4, ZINC ION
著者Ren, W, Song, J.
登録日2021-02-05
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.798 Å)
主引用文献DNMT1 reads heterochromatic H4K20me3 to reinforce LINE-1 DNA methylation.
Nat Commun, 12, 2021
7LMK
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Crystal structure of bovine DNMT1 BAH1 domain in complex with H4K20me3
分子名称: DNA (cytosine-5)-methyltransferase 1, Histone H4, ZINC ION
著者Ren, W, Song, J.
登録日2021-02-05
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.647 Å)
主引用文献DNMT1 reads heterochromatic H4K20me3 to reinforce LINE-1 DNA methylation.
Nat Commun, 12, 2021
7ZLW
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NME1 in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase A
著者Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C.
登録日2022-04-15
公開日2023-08-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
7ZL8
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NME1 in complex with succinyl-CoA
分子名称: Nucleoside diphosphate kinase A, SUCCINYL-COENZYME A
著者Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C.
登録日2022-04-14
公開日2023-08-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
7ZTK
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NME1 in complex with CoA
分子名称: COENZYME A, Nucleoside diphosphate kinase A
著者Garcia-Saez, I, Iuso, D, Khochbin, S, Petosa, C.
登録日2022-05-10
公開日2023-08-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Nucleoside diphosphate kinases 1 and 2 regulate a protective liver response to a high-fat diet.
Sci Adv, 9, 2023
8A98
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CRYO-EM STRUCTURE OF LEISHMANIA MAJOR 80S RIBOSOME : snoRNA MUTANT
分子名称: 40S ribosomal protein S12, 40S ribosomal protein S14, 40S ribosomal protein S19-like protein, ...
著者Rajan, K.S, Yonath, A, Bashan, A.
登録日2022-06-28
公開日2023-10-11
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.46 Å)
主引用文献Structural and mechanistic insights into the function of Leishmania ribosome lacking a single pseudouridine modification.
Cell Rep, 43, 2024
5NRE
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BU of 5nre by Molmil
A Native Ternary Complex of Alpha-1,3-Galactosyltransferase (a3GalT) Supports a Conserved Reaction Mechanism for Retaining Glycosyltransferases - a3GalT in complex with lactose - a3GalT-LAT
分子名称: N-acetyllactosaminide alpha-1,3-galactosyltransferase, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Albesa-Jove, D, Marina, A, Sainz-Polo, M.A, Guerin, M.E.
登録日2017-04-22
公開日2017-10-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural Snapshots of alpha-1,3-Galactosyltransferase with Native Substrates: Insight into the Catalytic Mechanism of Retaining Glycosyltransferases.
Angew. Chem. Int. Ed. Engl., 56, 2017
7LNK
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BU of 7lnk by Molmil
Gorilla Bocavirus 1 Capsid
分子名称: Capsid protein
著者Yu, J.C, Mietzsch, M, Agbandje-McKenna, M.
登録日2021-02-07
公開日2021-03-17
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Characterization of the GBoV1 Capsid and Its Antibody Interactions.
Viruses, 13, 2021
5Z20
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BU of 5z20 by Molmil
The ternary structure of D-lactate dehydrogenase from Pseudomonas aeruginosa with NADH and oxamate
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, D-lactate dehydrogenase (Fermentative), DI(HYDROXYETHYL)ETHER, ...
著者Furukawa, N, Miyanaga, A, Nakajima, M, Taguchi, H.
登録日2017-12-28
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of Sequential Allosteric Transitions in Tetrameric d-Lactate Dehydrogenases from Three Gram-Negative Bacteria.
Biochemistry, 57, 2018
5NRD
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BU of 5nrd by Molmil
A Native Ternary Complex of Alpha-1,3-Galactosyltransferase (a-3GalT) Supports a Conserved Reaction Mechanism for Retaining Glycosyltransferases - alpha-3GalT in complex with Co2+, UDP-Gal and lactose - a3GalT-Co2+-UDP-Gal-LAT-2
分子名称: COBALT (II) ION, GALACTOSE-URIDINE-5'-DIPHOSPHATE, GLYCEROL, ...
著者Albesa-Jove, D, Marina, A, Sainz-Polo, M.A, Guerin, M.E.
登録日2017-04-22
公開日2017-10-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural Snapshots of alpha-1,3-Galactosyltransferase with Native Substrates: Insight into the Catalytic Mechanism of Retaining Glycosyltransferases.
Angew. Chem. Int. Ed. Engl., 56, 2017
6Z82
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Thalictrum flavumn Norcoclaurine synthase point mutant in complex with a transition state analoge
分子名称: 4-[2-[(phenylmethyl)amino]ethyl]benzene-1,2-diol, S-norcoclaurine synthase
著者Roddan, R, Sula, A, Keep, N.H.
登録日2020-06-02
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Single step syntheses of (1S)-aryl-tetrahydroisoquinolines by norcoclaurine synthases
Commun Chem, 2020
4YIL
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BU of 4yil by Molmil
OYE1 W116A COMPLEXED WITH (Z)-METHYL 3-CYANO-3-(4-FLUOROPHENYL)ACRYLATE IN A NON PRODUCTIVE BINDING MODE
分子名称: FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, NADPH dehydrogenase 1, ...
著者Santangelo, S, Brenna, E, Stewart, J.D, Powell III, R.W.
登録日2015-03-02
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.461 Å)
主引用文献Opposite Enantioselectivity in the Bioreduction of (Z)-beta-Aryl-beta-cyanoacrylates Mediated by the Tryptophan 116 Mutants of Old Yellow Enzyme 1: Synthetic Approach to (R)- and (S)-beta-Aryl-gamma-lactams
Adv.Synth.Catal., 357, 2015
5NR9
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A Native Ternary Complex of Alpha-1,3-Galactosyltransferase (alpha-3GalT) Supports a Conserved Reaction Mechanism for Retaining Glycosyltransferases - Unliganded alpha-3GalT
分子名称: GLYCEROL, N-acetyllactosaminide alpha-1,3-galactosyltransferase
著者Albesa-Jove, D, Marina, A, Sainz-Polo, M.A, Guerin, M.E.
登録日2017-04-22
公開日2017-10-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Snapshots of alpha-1,3-Galactosyltransferase with Native Substrates: Insight into the Catalytic Mechanism of Retaining Glycosyltransferases.
Angew. Chem. Int. Ed. Engl., 56, 2017
5O40
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BU of 5o40 by Molmil
SOD1 bound to Ebselen
分子名称: N-phenyl-2-selanylbenzamide, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
著者Capper, M.J, Wright, G.S.A, Antonyuk, S.V, Hasnain, S.S.
登録日2017-05-25
公開日2018-06-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The cysteine-reactive small molecule ebselen facilitates effective SOD1 maturation.
Nat Commun, 9, 2018
8WCS
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BU of 8wcs by Molmil
Cryo-EM structure of Cas13h1-crRNA binary complex
分子名称: 66-nt crRNA, Cas13h1, MAGNESIUM ION
著者Zhang, C.
登録日2023-09-13
公開日2024-05-22
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular mechanism for target RNA recognition and cleavage of Cas13h.
Nucleic Acids Res., 52, 2024
7LG6
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BG505 SOSIP.v5.2 in complex with VRC40.01 and RM19R Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
著者Cottrell, C.A, Torres, J.L, Wu, N.R, Ward, A.B.
登録日2021-01-19
公開日2021-09-15
最終更新日2021-11-17
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Structural basis of glycan276-dependent recognition by HIV-1 broadly neutralizing antibodies.
Cell Rep, 37, 2021
2X0I
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2.9 A RESOLUTION STRUCTURE OF MALATE DEHYDROGENASE FROM ARCHAEOGLOBUS FULGIDUS IN COMPLEX WITH NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, MALATE DEHYDROGENASE, SODIUM ION, ...
著者Irimia, A, Madern, D, Zaccai, G, Vellieux, F.M.D, Karshikoff, A, Tibbelin, G, Ladenstein, R, Lien, T, Birkeland, N.-K.
登録日2009-12-14
公開日2009-12-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献The 2.9A Resolution Crystal Structure of Malate Dehydrogenase from Archaeoglobus Fulgidus: Mechanisms of Oligomerisation and Thermal Stabilisation.
J.Mol.Biol., 335, 2004
7LAT
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BU of 7lat by Molmil
Campylobacter jejuni keto-acid reductoisomerase in complex with Mg2+
分子名称: Ketol-acid reductoisomerase, MAGNESIUM ION
著者Guddat, L.W.
登録日2021-01-06
公開日2022-01-12
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024

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