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1QKL
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BU of 1qkl by Molmil
hRPABC14.4, essential subunit of human RNA polymerases I, II and III
分子名称: DNA-DIRECTED RNA POLYMERASE II 14.4 KD POLYPEPTIDE
著者Del Rio-Portilla, F, Gaskell, A.G, Gilbert, D, Ladias, J.A.A, Wagner, G.
登録日1999-07-26
公開日1999-11-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution Structure of the Hrpabc14.4 Subunit of Human RNA Polymerases
Nat.Struct.Biol., 6, 1999
7NAT
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BU of 7nat by Molmil
Bacterial 30S ribosomal subunit assembly complex state A (Consensus refinement)
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
登録日2021-01-25
公開日2021-12-08
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
2R9N
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Cathepsin S complexed with Compound 26
分子名称: Cathepsin S, N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
著者Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M.
登録日2007-09-13
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
7NAX
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BU of 7nax by Molmil
Complete Bacterial 30S ribosomal subunit assembly complex state I (Consensus Refinement)
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Lopez-Alonso, J, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
登録日2021-01-25
公開日2021-12-08
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
7NA8
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BU of 7na8 by Molmil
Structures of human ghrelin receptor-Gi complexes with ghrelin and a synthetic agonist
分子名称: 1-(methanesulfonyl)-1'-(2-methyl-L-alanyl-O-benzyl-D-seryl)-1,2-dihydrospiro[indole-3,4'-piperidine], Antibody fragment, CHOLESTEROL, ...
著者Liu, H, Sun, D, Sun, J, Zhang, C.
登録日2021-06-20
公開日2021-12-15
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural basis of human ghrelin receptor signaling by ghrelin and the synthetic agonist ibutamoren
Nat Commun, 12, 2021
7NA7
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BU of 7na7 by Molmil
Structures of human ghrelin receptor-Gi complexes with ghrelin and a synthetic agonist
分子名称: Antibody fragment, CHOLESTEROL, Ghrelin-27, ...
著者Liu, H, Sun, D, Sun, J, Zhang, C.
登録日2021-06-20
公開日2021-12-15
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural basis of human ghrelin receptor signaling by ghrelin and the synthetic agonist ibutamoren
Nat Commun, 12, 2021
2RA8
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BU of 2ra8 by Molmil
Crystal structure of the Q64V53_BACFR protein from Bacteroides fragilis. Northeast Structural Genomics Consortium target BfR43
分子名称: Uncharacterized protein Q64V53_BACFR
著者Vorobiev, S.M, Abashidze, M, Seetharaman, J, Wang, D, Cunningham, K, Maglaqui, M, Owens, L, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2007-09-14
公開日2007-09-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of the Q64V53_BACFR protein from Bacteroides fragilis.
To be Published
1R3B
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BU of 1r3b by Molmil
Solution structure of xenopus laevis Mob1
分子名称: MOB1
著者Ponchon, L, Dumas, C, Kajava, A.V, Fesquet, D, Padilla, A.
登録日2003-10-01
公開日2004-09-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR solution structure of Mob1, a mitotic exit network protein and its interaction with an NDR kinase peptide
J.Mol.Biol., 337, 2004
7NAR
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BU of 7nar by Molmil
Complete Bacterial 30S ribosomal subunit assembly complex state F (+RsgA)(Consensus Refinement)
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
登録日2021-01-25
公開日2021-12-08
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
5KKN
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BU of 5kkn by Molmil
Crystal structure of human ACC2 BC domain in complex with ND-646, the primary amide of ND-630
分子名称: 2-[1-[(2~{R})-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-propanamide, Acetyl-CoA carboxylase 2
著者Wang, R, Paul, D, Tong, L.
登録日2016-06-22
公開日2016-07-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Acetyl-CoA carboxylase inhibition by ND-630 reduces hepatic steatosis, improves insulin sensitivity, and modulates dyslipidemia in rats.
Proc.Natl.Acad.Sci.USA, 113, 2016
2R9Z
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BU of 2r9z by Molmil
Glutathione amide reductase from Chromatium gracile
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Glutathione amide reductase, ...
著者Van Petegem, F, Vergauwen, B, Savvides, S, De Vos, D, Van Beeumen, J.
登録日2007-09-14
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Understanding nicotinamide dinucleotide cofactor and substrate specificity in class I flavoprotein disulfide oxidoreductases: crystallographic analysis of a glutathione amide reductase.
J.Mol.Biol., 374, 2007
1R2N
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BU of 1r2n by Molmil
NMR structure of the all-trans retinal in dark-adapted Bacteriorhodopsin
分子名称: Bacteriorhodopsin, RETINAL
著者Patzelt, H, Simon, B, terLaak, A, Kessler, B, Kuhne, R, Schmieder, P, Oesterhaelt, D, Oschkinat, H.
登録日2003-09-29
公開日2003-10-28
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献The structures of the active center in dark-adapted bacteriorhodopsin by solution-state NMR spectroscopy
Proc.Natl.Acad.Sci.USA, 99, 2002
7N41
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BU of 7n41 by Molmil
Crystal structure of TagA with UDP-ManNAc
分子名称: (2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), N-acetylglucosaminyldiphosphoundecaprenol N-acetyl-beta-D-mannosaminyltransferase
著者Martinez, O.E, Cascio, D, Clubb, R.T.
登録日2021-06-03
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Insight into the molecular basis of substrate recognition by the wall teichoic acid glycosyltransferase TagA.
J.Biol.Chem., 298, 2021
2RBK
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BU of 2rbk by Molmil
X-ray Crystallographic Structures Show Conservation of a Trigonal-Bipyramidal Intermediate in a Phosphoryl-transfer Superfamily.
分子名称: MAGNESIUM ION, Putative uncharacterized protein, oxido(dioxo)vanadium
著者Lu, Z, Dunaway-Mariano, D, Allen, K.N.
登録日2007-09-19
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献The catalytic scaffold of the haloalkanoic acid dehalogenase enzyme superfamily acts as a mold for the trigonal bipyramidal transition state.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5KMQ
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BU of 5kmq by Molmil
The structure of I379E variant of type II NADH dehydrogenase from Caldalkalibacillus thermarum
分子名称: FAD-dependent pyridine nucleotide-disulfide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
著者Cook, G.M, Aragao, D, Nakatani, Y.
登録日2016-06-27
公開日2017-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The mechanism of catalysis by type-II NADH:quinone oxidoreductases.
Sci Rep, 7, 2017
1S5Z
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BU of 1s5z by Molmil
NDP kinase in complex with adenosine phosphonoacetic acid
分子名称: ADENOSINE PHOSPHONOACETIC ACID, Nucleoside diphosphate kinase, cytosolic, ...
著者Chen, Y, Morera, S, Pasti, C, Angusti, A, Solaroli, N, Veron, M, Janin, J, Manfredini, S, Deville-Bonne, D.
登録日2004-01-22
公開日2005-02-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Adenosine phosphonoacetic acid is slowly metabolized by NDP kinase.
Med.Chem., 1, 2005
5KNT
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BU of 5knt by Molmil
Crystal structure of E. coli hypoxanthine phosphoribosyltransferase in complexed with 2-((2,3-Dihydroxypropyl)(2-(hypoxanthin-9-yl)ethyl)amino)ethylphosphonic acid
分子名称: 2-[[(2~{S})-2,3-bis(oxidanyl)propyl]-[2-(6-oxidanylidene-1~{H}-purin-9-yl)ethyl]amino]ethylphosphonic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hypoxanthine-guanine phosphoribosyltransferase, ...
著者Eng, W.S, Keough, D.T, Hockova, D, Janeba, Z.
登録日2016-06-28
公開日2017-07-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal Structures of Acyclic Nucleoside Phosphonates in Complex with Escherichia coli Hypoxanthine Phosphoribosyltransferase
Chemistryselect, 1, 2016
1SAN
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BU of 1san by Molmil
THE DES(1-6)ANTENNAPEDIA HOMEODOMAIN: COMPARISON OF THE NMR SOLUTION STRUCTURE AND THE DNA BINDING AFFINITY WITH THE INTACT ANTENNAPEDIA HOMEODOMAIN
分子名称: ANTENNAPEDIA PROTEIN
著者Qian, Y.Q, Resendez-Perez, D, Gehring, W.J, Wuthrich, K.
登録日1994-01-07
公開日1994-04-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The des(1-6)antennapedia homeodomain: comparison of the NMR solution structure and the DNA-binding affinity with the intact Antennapedia homeodomain.
Proc.Natl.Acad.Sci.USA, 91, 1994
5KNV
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BU of 5knv by Molmil
E coli hypoxanthine guanine phosphoribosyltransferase in complexed with 9-[(N-Phosphonoethyl-N-phosphonobutyl)-2-aminoethyl]-hypoxanthine
分子名称: 2-[2-(6-oxidanylidene-1~{H}-purin-9-yl)ethyl-(4-phosphonobutyl)amino]ethylphosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION
著者Eng, W.S, Keough, D.T, Hockova, D, Janeba, Z.
登録日2016-06-28
公開日2017-07-19
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.861 Å)
主引用文献Crystal Structures of Acyclic Nucleoside Phosphonates in Complex with Escherichia coli Hypoxanthine Phosphoribosyltransferase
Chemistryselect, 1, 2016
5KPM
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Glycogen Synthase Kinase 3 beta Complexed with BRD3731
分子名称: (4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta
著者Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K.
登録日2016-07-04
公開日2018-03-14
最終更新日2018-03-21
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
5KPL
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Glycogen Synthase Kinase 3 beta Complexed with BRD0705
分子名称: (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta
著者Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K.
登録日2016-07-04
公開日2018-03-14
最終更新日2018-03-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
1RYH
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BU of 1ryh by Molmil
Alternative Splicing of Rac1 Generates Rac1b, a Self-activating GTPase
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ras-related C3 botulinum toxin substrate 1 isoform Rac1b
著者Ahmadian, M.R, Fiegen, D.
登録日2003-12-22
公開日2004-01-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Alternative Splicing of Rac1 Generates Rac1b, a Self-activating GTPase
J.Biol.Chem., 279, 2004
1P45
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Targeting tuberculosis and malaria through inhibition of enoyl reductase: compound activity and structural data
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Kuo, M.R, Morbidoni, H.R, Alland, D, Sneddon, S.F, Gourlie, B.B, Staveski, M.M, Leonard, M, Gregory, J.S, Janjigian, A.D, Yee, C, Musser, J.M, Kreiswirth, B.N, Iwamoto, H, Perozzo, R, Jacobs Jr, W.R, Sacchettini, J.C, Fidock, D.A, TB Structural Genomics Consortium (TBSGC)
登録日2003-04-21
公開日2003-09-16
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data.
J.Biol.Chem., 278, 2003
1RZ6
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Di-haem Cytochrome c Peroxidase, Form IN
分子名称: CITRIC ACID, Cytochrome c peroxidase, HEME C
著者Dias, J.M, Alves, T, Bonifacio, C, Pereira, A, Bourgeois, D, Moura, I, Romao, M.J.
登録日2003-12-24
公開日2004-06-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the mechanism of Ca(2+) activation of the di-heme cytochrome c peroxidase from Pseudomonas nautica 617.
Structure, 12, 2004
1P64
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T4 LYSOZYME CORE REPACKING MUTANT L133F/TA
分子名称: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
著者Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
登録日2003-04-28
公開日2003-10-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003

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