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1BPS
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BU of 1bps by Molmil
MINOR CONFORMER OF A BENZO[A]PYRENE DIOL EPOXIDE ADDUCT OF DA IN DUPLEX DNA
分子名称: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA (5'-D(*CP*TP*CP*GP*GP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*(BAP)AP*CP*GP*AP*G)-3')
著者Schwartz, J.S, Rice, J.S, Luxon, B.A, Sayer, J.M, Xie, G, Yeh, H.J.C, Liu, X, Jerina, D.M, Gorenstein, D.G.
登録日1998-08-06
公開日1998-08-19
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the minor conformer of a DNA duplex containing a dG mismatch opposite a benzo[a]pyrene diol epoxide/dA adduct: glycosidic rotation from syn to anti at the modified deoxyadenosine.
Biochemistry, 36, 1997
4NX4
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BU of 4nx4 by Molmil
Re-refinement of CAP-1 HIV-CA complex
分子名称: 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea, CHLORIDE ION, Gag-Pol polyprotein, ...
著者Lang, P.T, Holton, J.M, Fraser, J.S, Alber, T.
登録日2013-12-08
公開日2014-02-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Protein structural ensembles are revealed by redefining X-ray electron density noise.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NDN
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BU of 4ndn by Molmil
Structural insights of MAT enzymes: MATa2b complexed with SAM and PPNP
分子名称: (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Murray, B, Antonyuk, S.V, Marina, A, Lu, S.C, Mato, J.M, Hasnain, S.S, Rojas, A.L.
登録日2013-10-27
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structure and function study of the complex that synthesizes S-adenosylmethionine.
IUCrJ, 1, 2014
7L1U
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BU of 7l1u by Molmil
Orexin Receptor 2 (OX2R) in Complex with G Protein and Natural Peptide-Agonist Orexin B (OxB)
分子名称: Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K.
登録日2020-12-15
公開日2021-02-10
最終更新日2021-02-17
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
7L1V
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BU of 7l1v by Molmil
Orexin Receptor 2 (OX2R) in Complex with G Protein and Small-Molecule Agonist Compound 1
分子名称: 4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide, Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K.
登録日2020-12-15
公開日2021-02-10
最終更新日2021-02-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation.
Nat Commun, 12, 2021
7L0D
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BU of 7l0d by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML188
分子名称: 3C-like proteinase, N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
著者Lockbaum, G.J, Lee, J.M, Reyes, A.C, Nalivaika, E.A, Ali, A, Yilmaz, N.K, Thompson, P.R, Schiffer, C.A.
登録日2020-12-11
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease in Complex with the Non-Covalent Inhibitor ML188.
Viruses, 13, 2021
6X6L
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BU of 6x6l by Molmil
Cryo-EM Structure of CagX and CagY within the dCag3 Helicobacter pylori PR
分子名称: Cag pathogenicity island protein (Cag7), Cag pathogenicity island protein (Cag8)
著者Sheedlo, M.J, Chung, J.M, Sawhney, N, Durie, C.L, Cover, T.L, Ohi, M.D, Lacy, D.B.
登録日2020-05-28
公開日2020-09-30
最終更新日2021-04-14
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Cryo-EM reveals species-specific components within the Helicobacter pylori Cag type IV secretion system core complex.
Elife, 9, 2020
7KHL
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BU of 7khl by Molmil
BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate)
分子名称: Bromodomain-containing protein 4, GLYCEROL, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate
著者Murray, J.M.
登録日2020-10-21
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.286 Å)
主引用文献Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
7KHH
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BU of 7khh by Molmil
Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide)
分子名称: Bromodomain-containing protein 4, Elongin-B, Elongin-C, ...
著者Murray, J.M.
登録日2020-10-21
公開日2021-02-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.281 Å)
主引用文献Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
4OPH
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BU of 4oph by Molmil
X-ray structure of full-length H6N6 NS1
分子名称: Nonstructural protein 1
著者Carrillo, B, Choi, J.M, Bornholdt, Z.A, Sankaran, S, Rice, A.P, Prasad, B.V.V.
登録日2014-02-05
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.158 Å)
主引用文献The Influenza A Virus Protein NS1 Displays Structural Polymorphism.
J.Virol., 88, 2014
6Y41
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BU of 6y41 by Molmil
Fibrinogen-like globe domain of human ANGPTL2
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Angiopoietin-related protein 2, ...
著者Coker, J.A, Krojer, T, Mutisya, J.M, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC)
登録日2020-02-19
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fibrinogen-like globe domain of human ANGPTL2
To Be Published
6XZR
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BU of 6xzr by Molmil
Influenza C virus polymerase in complex with chicken ANP32A - Subclass 1
分子名称: LRRcap domain-containing protein, Polymerase acidic protein, Polymerase basic protein 2, ...
著者Carrique, L, Keown, J.R, Fan, H, Grimes, J.M, Fodor, E.
登録日2020-02-05
公開日2020-11-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Host ANP32A mediates the assembly of the influenza virus replicase.
Nature, 587, 2020
6YBQ
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BU of 6ybq by Molmil
Engineered glycolyl-CoA carboxylase (quintuple mutant) with bound CoA
分子名称: 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, COENZYME A, Propionyl-CoA carboxylase alpha subunit, ...
著者Schuller, J.M, Schuller, S.K, Zarzycki, J, Scheffen, M, Marchal, D.M, Erb, T.J.
登録日2020-03-17
公開日2020-10-28
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (1.96 Å)
主引用文献A new-to-nature carboxylation module to improve natural and synthetic CO2 fixation
Nat Catal, 2021
4N4A
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BU of 4n4a by Molmil
Cystal structure of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1
分子名称: Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1
著者Smietanski, M, Werener, M, Purta, E, Kaminska, K.H, Stepinski, J, Darzynkiewicz, E, Nowotny, M, Bujnicki, J.M.
登録日2013-10-08
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural analysis of human 2'-O-ribose methyltransferases involved in mRNA cap structure formation.
Nat Commun, 5, 2014
7L30
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BU of 7l30 by Molmil
Binjari virus (BinJV)
分子名称: Envelope protein E, prM protein
著者Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J.
登録日2020-12-17
公開日2021-03-10
最終更新日2021-05-26
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献The structure of an infectious immature flavivirus redefines viral architecture and maturation.
Sci Adv, 7, 2021
4N69
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BU of 4n69 by Molmil
Soybean Serine Acetyltransferase Complexed with Serine
分子名称: PHOSPHATE ION, SERINE, Serine Acetyltransferase Apoenzyme
著者Yi, H, Dey, S, Kumaran, S, Krishnan, H.B, Jez, J.M.
登録日2013-10-11
公開日2013-11-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of soybean serine acetyltransferase and formation of the cysteine regulatory complex as a molecular chaperone.
J.Biol.Chem., 288, 2013
6WCW
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BU of 6wcw by Molmil
Structure of human Rubicon RH domain in complex with GTP-bound Rab7
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-7a, ...
著者Bhargava, H.K, Byck, J.M, Farrell, D.P, Anishchenko, I, DiMaio, F, Im, Y.J, Hurley, J.H.
登録日2020-03-31
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for autophagy inhibition by the human Rubicon-Rab7 complex.
Proc.Natl.Acad.Sci.USA, 117, 2020
7KYL
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BU of 7kyl by Molmil
Powassan virus Envelope protein DIII in complex with neutralizing Fab POWV-80
分子名称: CHLORIDE ION, Envelope protein domain III, POWV-80 Fab heavy chain, ...
著者Errico, J.M, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-12-08
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Broadly neutralizing monoclonal antibodies protect against multiple tick-borne flaviviruses.
J.Exp.Med., 218, 2021
4NJ7
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PB1 Domain of AtARF7 - SeMet Derivative
分子名称: Auxin response factor 7
著者Korasick, D.A, Westfall, C.S, Lee, S.G, Nanao, M, Jez, J.M, Strader, L.C.
登録日2013-11-08
公開日2014-03-26
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular basis for AUXIN RESPONSE FACTOR protein interaction and the control of auxin response repression.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PFM
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SHEWANELLA BENTHICA DHDPS WITH LYSINE AND PYRUVATE
分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, CITRATE ANION, GLYCEROL, ...
著者Wubben, J.M, Paxman, J.J, Dogovski, C, Panjikar, S, Perugini, M.A.
登録日2014-04-30
公開日2015-05-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.327 Å)
主引用文献Defining a Molecular Determinant of Lysine-Mediated Allosteric Inhibition of DHDPS.
To Be Published
6WG5
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BU of 6wg5 by Molmil
Human ectonucleoside triphosphate diphosphohydrolase 4 (ENTPD4, NTPDase 4)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ectonucleoside triphosphate diphosphohydrolase 4
著者Gorelik, A, Labriola, J.M, Illes, K, Nagar, B.
登録日2020-04-04
公開日2020-08-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the nucleotide-metabolizing enzyme NTPDase4.
Protein Sci., 29, 2020
6WPW
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BU of 6wpw by Molmil
GCGR-Gs signaling complex bound to a designed glucagon derivative
分子名称: Glucagon derivative ZP3780, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Hilger, D, Krishna Kumar, K, Hu, H, Mathiesen, J.M, Skiniotis, G, Kobilka, B.K.
登録日2020-04-28
公開日2020-08-12
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into differences in G protein activation by family A and family B GPCRs.
Science, 369, 2020
3FPU
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BU of 3fpu by Molmil
The crystallographic structure of the Complex between Evasin-1 and CCL3
分子名称: C-C motif chemokine 3, Evasin-1, NICKEL (II) ION
著者Shaw, J.P, Dias, J.M.
登録日2009-01-06
公開日2010-01-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural basis of chemokine sequestration by a tick chemokine binding protein: the crystal structure of the complex between Evasin-1 and CCL3
Plos One, 4, 2009
6X2W
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Crystal Structure of PKINES peptide bound to CRM1(E571K)
分子名称: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
著者Baumhardt, J.M.
登録日2020-05-21
公開日2020-07-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation.
Mol.Biol.Cell, 31, 2020
1BQZ
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BU of 1bqz by Molmil
J-DOMAIN (RESIDUES 1-77) OF THE ESCHERICHIA COLI N-TERMINAL FRAGMENT (RESIDUES 1-78) OF THE MOLECULAR CHAPERONE DNAJ, NMR, 20 STRUCTURES
分子名称: DNAJ
著者Huang, K, Flanagan, J.M, Prestegard, J.H.
登録日1998-08-20
公開日1999-06-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The influence of C-terminal extension on the structure of the "J-domain" in E. coli DnaJ.
Protein Sci., 8, 1999

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