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3ISF
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BU of 3isf by Molmil
Structure of non-mineralized Bfrb (as-isolated) from Pseudomonas aeruginosa to 2.07A Resolution
分子名称: Bacterioferritin, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Lovell, S, Weeratunga, S.K, Battaile, K.P, Rivera, M.
登録日2009-08-25
公開日2010-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural Studies of Bacterioferritin B from Pseudomonas aeruginosa Suggest a Gating Mechanism for Iron Uptake via the Ferroxidase Center
Biochemistry, 49, 2010
8SLC
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BU of 8slc by Molmil
High Affinity nanobodies against GFP
分子名称: CHLORIDE ION, GLYCEROL, Green fluorescent protein, ...
著者Ketaren, N.E, Rout, M.P, Bonanno, J.B, Almo, S.C.
登録日2023-04-21
公開日2024-05-22
実験手法X-RAY DIFFRACTION (2.97 Å)
主引用文献High Affinity nanobodies against GFP
To Be Published
1RYW
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BU of 1ryw by Molmil
C115S MurA liganded with reaction products
分子名称: GLYCEROL, PHOSPHATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
著者Eschenburg, S, Schonbrunn, E.
登録日2003-12-22
公開日2004-11-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Evidence That the Fosfomycin Target Cys115 in UDP-N-acetylglucosamine Enolpyruvyl Transferase (MurA) Is Essential for Product Release.
J.Biol.Chem., 280, 2005
6SIT
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BU of 6sit by Molmil
Pseudo-atomic crystal structure of the desmoglein 2 - human adenovirus serotype 3 fibre knob complex
分子名称: CALCIUM ION, Desmoglein-2, Fiber protein
著者Burmeister, W.P, Fender, P, Vassal-Stermann, E.
登録日2019-08-11
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Intermediate-resolution crystal structure of the human adenovirus B serotype 3 fibre knob in complex with the EC2-EC3 fragment of desmoglein 2.
Acta Crystallogr.,Sect.F, 75, 2019
1BGF
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BU of 1bgf by Molmil
STAT-4 N-DOMAIN
分子名称: STAT-4
著者Vinkemeier, U, Moarefi, I, Darnell, J.E, Kuriyan, J.
登録日1998-05-28
公開日1998-09-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of the amino-terminal protein interaction domain of STAT-4.
Science, 279, 1998
8SON
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BU of 8son by Molmil
Crystal structure of macrophage migration inhibitory factor in complex with N-[3-(Trifluoromethyl)phenyl]-3-(2-chloroanilino)-2-cyano-3-thioxopropanamide
分子名称: (2R)-3-[(2-chlorophenyl)amino]-2-cyano-3-thioxo-N-[3-(trifluoromethyl)phenyl]propanamide, GLYCEROL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2023-04-28
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure of the macrophage migration inhibitory factor in complex with N-[3-(Trifluoromethyl)phenyl]-3-(2-chloroanilino)-2-cyano-3-thioxopropanamide
To Be Published
8SFV
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BU of 8sfv by Molmil
High affinity nanobodies to GFP
分子名称: GLYCEROL, Green fluorescent protein, LaG19, ...
著者Ketaren, N.E, Rout, M.P, Bonanno, J.B, Almo, S.C.
登録日2023-04-11
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献High affinity nanobodies to GFP
To Be Published
1K0G
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BU of 1k0g by Molmil
THE CRYSTAL STRUCTURE OF AMINODEOXYCHORISMATE SYNTHASE FROM PHOSPHATE GROWN CRYSTALS
分子名称: PHOSPHATE ION, TRYPTOPHAN, p-aminobenzoate synthase component I
著者Parsons, J.F, Jensen, P.Y, Pachikara, A.S, Howard, A.J, Eisenstein, E, Ladner, J.E.
登録日2001-09-19
公開日2002-02-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of Escherichia coli aminodeoxychorismate synthase: architectural conservation and diversity in chorismate-utilizing enzymes.
Biochemistry, 41, 2002
8SFX
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BU of 8sfx by Molmil
High Affinity nanobodies against GFP
分子名称: D-MALATE, GLYCEROL, Green fluorescent protein, ...
著者Ketaren, N.E, Rout, M.P, Bonanno, J.B, Almo, S.C.
登録日2023-04-11
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献High Affinity nanobodies against GFP
To Be Published
5O5P
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BU of 5o5p by Molmil
Poliovirus type 3 (strain Saukett) stabilized virus-like particle in complex with the pocket factor compound GPP3
分子名称: 1-[5-[4-(ethoxyiminomethyl)phenoxy]-3-methyl-pentyl]-3-pyridin-4-yl-imidazol-2-one, Capsid proteins, VP4, ...
著者Bahar, M.W, Kotecha, A, Fry, E.E, Stuart, D.I.
登録日2017-06-02
公開日2017-07-12
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Plant-made polio type 3 stabilized VLPs-a candidate synthetic polio vaccine.
Nat Commun, 8, 2017
7KJS
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BU of 7kjs by Molmil
Crystal structure of CDK2/cyclin E in complex with PF-06873600
分子名称: 6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
著者McTigue, M.A, He, Y, Ferre, R.A.
登録日2020-10-26
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.187 Å)
主引用文献Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 64, 2021
6SES
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BU of 6ses by Molmil
Tubulin-B2 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Guo, B, Rodriguez-Gabin, A, Prota, A.E, Muehlethaler, T, Zhang, N, Ye, K, Steinmetz, M.O, Band Horwitz, S, Smith III, A.B, McDaid, H.M.
登録日2019-07-30
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Refinement of the Tubulin Ligand (+)-Discodermolide to Attenuate Chemotherapy-Mediated Senescence.
Mol.Pharmacol., 98, 2020
4X2W
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BU of 4x2w by Molmil
Crystal structure of the Murine Norovirus NS6 protease (inactive C139A mutant) with a C-terminal extension to include residues P1 prime - P2 prime of NS7
分子名称: NS6 Protease
著者Fernandes, H, Leen, E.N, Curry, S.
登録日2014-11-27
公開日2015-02-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure determination of Murine Norovirus NS6 proteases with C-terminal extensions designed to probe protease-substrate interactions.
Peerj, 3, 2015
6SPR
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BU of 6spr by Molmil
Structure of the Escherichia coli methionyl-tRNA synthetase variant VI298 complexed with beta-methionine
分子名称: (3R)-3-amino-5-(methylsulfanyl)pentanoic acid, CITRIC ACID, GLYCEROL, ...
著者Nigro, G, Schmitt, E, Mechulam, Y.
登録日2019-09-02
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Use of beta3-methionine as an amino acid substrate of Escherichia coli methionyl-tRNA synthetase.
J.Struct.Biol., 209, 2020
8SVR
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BU of 8svr by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-326
分子名称: (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-5-methyl-1-(2,4,5-trimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8SVQ
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BU of 8svq by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-312
分子名称: (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
6M7J
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BU of 6m7j by Molmil
Mycobacterium tuberculosis RNAP with RbpA/us fork and Corallopyronin
分子名称: DNA (26-MER), DNA (31-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J.
登録日2018-08-20
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structures of an RNA polymerase promoter melting intermediate elucidate DNA unwinding.
Nature, 565, 2019
8SVP
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BU of 8svp by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-278
分子名称: (1P)-N-(5-tert-butyl-2-{[(3R)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, (1P)-N-(5-tert-butyl-2-{[(3S)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8RW3
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BU of 8rw3 by Molmil
Crystal Structure of Agd31B, alpha-transglucosylase, complexed with a non-covalent 1,2- Cyclophellitol aziridine
分子名称: (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, 1,2-ETHANEDIOL, OXALATE ION, ...
著者Moran, E, Davies, G, Ofamn, T, Heming, J, Nin-Hill, A, Kullmer, F, Steneker, R, Klein, A, Bennett, M, Ruijgrok, G, Kok, K, Aerts, J, Van der Marel, G, Rovira, C, Artola, M, Codee, J, Overkleeft, H.
登録日2024-02-02
公開日2024-05-15
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition.
Chemistry, 30, 2024
5EZR
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BU of 5ezr by Molmil
Crystal Structure of PVX_084705 bound to compound
分子名称: CHLORIDE ION, N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide, cGMP-dependent protein kinase, ...
著者El Bakkouri, M, Amani, M, Walker, J.R, Osborne, S, Large, J.M, Birchall, K, Bouloc, N, Smiljanic-Hurley, E, Wheldon, M, Harding, D.J, Merritt, A.T, Ansell, K.H, Coombs, P.J, Kettleborough, C.A, Stewart, B.L, Bowyer, P.W, Gutteridge, W.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Baker, D.A, Hui, R, Loppnau, P, Structural Genomics Consortium (SGC)
登録日2015-11-26
公開日2017-05-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of PVX_084705 bound to compound
To Be Published
8SVO
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BU of 8svo by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-310
分子名称: (1P)-N-(5-tert-butyl-2-{[(2S)-pentan-2-yl]oxy}phenyl)-1-(2-methoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide, DIMETHYL SULFOXIDE, Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
6MEE
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BU of 6mee by Molmil
Crystal structure of broadly neutralizing antibody HEPC74
分子名称: antibody HEPC74 Heavy Chain, antibody HEPC74 Light Chain
著者Flyak, A.I, Bjorkman, P.J.
登録日2018-09-06
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献HCV Broadly Neutralizing Antibodies Use a CDRH3 Disulfide Motif to Recognize an E2 Glycoprotein Site that Can Be Targeted for Vaccine Design.
Cell Host Microbe, 24, 2018
8ST6
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BU of 8st6 by Molmil
Hsa Siglec + Unique domains bound to Neu5Gc alpha2,3 Gal beta OMe
分子名称: SODIUM ION, Streptococcal hemagglutinin, methyl 3-O-[3,5-dideoxy-5-(2-hydroxyacetamido)-L-glycero-alpha-D-gulo-non-2-ulopyranonosyl]-beta-D-talopyranoside
著者Stubbs, H.E, Iverson, T.M.
登録日2023-05-09
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Hsa Siglec + Unique domains bound to Neu5Gc alpha2,3 Gal beta OMe
To Be Published
6MEJ
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BU of 6mej by Molmil
Crystal structure of Hepatitis C virus envelope glycoprotein E2 ectodomain in complex with human antibodies HEPC3 and HEPC46
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, E2 glycoprotein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Flyak, A.I, Bjorkman, P.J.
登録日2018-09-06
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献HCV Broadly Neutralizing Antibodies Use a CDRH3 Disulfide Motif to Recognize an E2 Glycoprotein Site that Can Be Targeted for Vaccine Design.
Cell Host Microbe, 24, 2018
1JXI
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BU of 1jxi by Molmil
4-Amino-5-hydroxymethyl-2-methylpyrimidine Phosphate Kinase from Salmonella typhimurium complexed with 4-Amino-5-hydroxymethyl-2-methylpyrimidine
分子名称: 4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE, PHOSPHOMETHYLPYRIMIDINE KINASE, SULFATE ION
著者Cheng, G, Bennett, E.M, Begley, T.P, Ealick, S.E.
登録日2001-09-07
公開日2002-02-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Crystal structure of 4-amino-5-hydroxymethyl-2-methylpyrimidine phosphate kinase from Salmonella typhimurium at 2.3 A resolution.
Structure, 10, 2002

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