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2K7V
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BU of 2k7v by Molmil
Deletions in a surface loop divert the folding of a protein domain into a metastable dimeric form
Descriptor: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex
Authors:Stott, K.M, Yusof, A.M, Perham, R.N, Jones, D.D.
Deposit date:2008-08-27
Release date:2009-09-15
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:A surface loop directs conformational switching of a lipoyl domain between a folded and a novel misfolded structure.
Structure, 17, 2009
1D89
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BU of 1d89 by Molmil
A DNA DODECAMER CONTAINING AN ADENINE TRACT CRYSTALLIZES IN A UNIQUE LATTICE AND EXHIBITS A NEW BEND
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*AP*AP*AP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*TP*TP*TP*TP*TP*CP*GP*CP*G)-3')
Authors:DiGabriele, A.D, Steitz, T.A.
Deposit date:1992-07-17
Release date:1993-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A DNA dodecamer containing an adenine tract crystallizes in a unique lattice and exhibits a new bend.
J.Mol.Biol., 231, 1993
283D
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BU of 283d by Molmil
A CURVED RNA HELIX INCORPORATING AN INTERNAL LOOP WITH G-A AND A-A NON-WATSON-CRICK BASE PAIRING
Descriptor: MANGANESE (II) ION, RNA (5'-R(*GP*GP*CP*CP*GP*AP*AP*AP*GP*GP*CP*C)-3')
Authors:Baeyens, K.J, De Bondt, H.L, Pardi, A, Holbrook, S.R.
Deposit date:1996-09-03
Release date:1996-09-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A curved RNA helix incorporating an internal loop with G.A and A.A non-Watson-Crick base pairing.
Proc.Natl.Acad.Sci.USA, 93, 1996
2CHZ
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BU of 2chz by Molmil
A pharmacological map of the PI3-K family defines a role for p110alpha in signaling: The structure of complex of phosphoinositide 3-kinase gamma with inhibitor PIK-93
Descriptor: N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
Authors:Knight, Z.A, Gonzalez, B, Feldman, M.E, Zunder, E.R, Goldenberg, D.D, Williams, O, Loewith, R, Stokoe, D, Balla, A, Toth, B, Balla, T, Weiss, W.A, Williams, R.L, Shokat, K.M.
Deposit date:2006-03-16
Release date:2006-05-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Pharmacological Map of the Pi3-K Family Defines a Role for P110Alpha in Signaling
Cell(Cambridge,Mass.), 125, 2006
2CMN
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BU of 2cmn by Molmil
A Proximal Arginine Residue in the Switching Mechanism of the FixL Oxygen Sensor
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SENSOR PROTEIN FIXL
Authors:Gilles-Gonzalez, M.-A, Caceres, A.I, Silva Sousa, E.H, Tomchick, D.R, Brautigam, C.A, Gonzalez, C, Machius, M.
Deposit date:2006-05-11
Release date:2007-05-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Proximal Arginine R206 Participates in Switching of the Bradyrhizobium Japonicum Fixl Oxygen Sensor
J.Mol.Biol., 360, 2006
2CHX
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BU of 2chx by Molmil
A pharmacological map of the PI3-K family defines a role for p110alpha in signaling: The structure of complex of phosphoinositide 3-kinase gamma with inhibitor PIK-90
Descriptor: N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-C] QUINAZOLIN-5-YL)NICOTINAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
Authors:Knight, Z.A, Gonzalez, B, Feldman, M.E, Zunder, E.R, Goldenberg, D.D, Williams, O, Loewith, R, Stokoe, D, Balla, A, Toth, B, Balla, T, Weiss, W.A, Williams, R.L, Shokat, K.M.
Deposit date:2006-03-16
Release date:2006-05-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Pharmacological Map of the Pi3-K Family Defines a Role for P110Alpha in Signaling
Cell(Cambridge,Mass.), 125, 2006
2FVJ
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BU of 2fvj by Molmil
A novel anti-adipogenic partial agonist of peroxisome proliferator-activated receptor-gamma (PPARG) recruits pparg-coactivator-1 alpha (PGC1A) but potentiates insulin signaling in vitro
Descriptor: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE, GLYCEROL, Nuclear receptor coactivator 1, ...
Authors:Benz, J, Burgermeister, E, Flament, A, Schnoebelen, A, Stihle, M, Gsell, B, Rufer, A, Ruf, A, Kuhn, B, Maerki, H.P, Mizrahi, J, Sebokova, E, Niesor, E, Meyer, M.
Deposit date:2006-01-31
Release date:2006-05-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A novel partial agonist of peroxisome proliferator-activated receptor-gamma (PPARgamma) recruits PPARgamma-coactivator-1alpha, prevents triglyceride accumulation, and potentiates insulin signaling in vitro
Mol.Endocrinol., 20, 2006
1GRZ
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BU of 1grz by Molmil
A PREORGANIZED ACTIVE SITE IN THE CRYSTAL STRUCTURE OF THE TETRAHYMENA RIBOZYME
Descriptor: LSU R-RNA GROUP I INTRON
Authors:Golden, B.L, Gooding, A.R, Podell, E.R, Cech, T.R.
Deposit date:1998-09-14
Release date:1998-11-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (5 Å)
Cite:A preorganized active site in the crystal structure of the Tetrahymena ribozyme.
Science, 282, 1998
4UB7
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BU of 4ub7 by Molmil
High-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) showing an extreme distortion of the ATP-binding loop combined with a pi-halogen bond
Descriptor: 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha
Authors:Niefind, K, Bischoff, N, Guerra, B, Golub, A, Issinger, O.-G.
Deposit date:2014-08-12
Release date:2015-07-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2 alpha Complex Structures.
Acs Chem.Biol., 10, 2015
7MMD
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BU of 7mmd by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with JZ01-19
Descriptor: 1,2-ETHANEDIOL, NS3/4A protease, SULFATE ION, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2021-04-29
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance.
J.Mol.Biol., 434, 2022
4WGI
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BU of 4wgi by Molmil
A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1)
Descriptor: (2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid, FORMIC ACID, MAGNESIUM ION, ...
Authors:Clifton, M.C, Fairman, J.W, Fang, C, D'Souza, B, Fulroth, B, Leed, A, McCarren, P, Wang, L, Wang, Y, Kaushik, V, Palmer, M, Wei, G, Golub, T.R, Hubbard, B.K, Serrano-Wu, M.H.
Deposit date:2014-09-18
Release date:2014-11-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1).
Acs Med.Chem.Lett., 5, 2014
3K6M
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BU of 3k6m by Molmil
Dynamic domains of Succinyl-CoA:3-ketoacid-coenzyme A transferase from pig heart.
Descriptor: CHLORIDE ION, GLYCEROL, Succinyl-CoA:3-ketoacid-coenzyme A transferase 1, ...
Authors:Coker, S, Lloyd, A, Mitchell, E, Lewis, G.R, Shoolingin-Jordan, P, Coker, A.R.
Deposit date:2009-10-09
Release date:2010-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The high-resolution structure of pig heart succinyl-CoA:3-oxoacid coenzyme A transferase.
Acta Crystallogr.,Sect.D, 66, 2010
3JSD
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BU of 3jsd by Molmil
Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Weiss, M.A, Wan, Z.L, Dodson, E.J, Liu, M, Xu, B, Hua, Q.X, Turkenburg, M, Whittingham, J, Nakagawa, S.H, Huang, K, Hu, S.Q, Jia, W.H, Wang, S.H, Brange, J, Whittaker, J, Arvan, P, Katsoyannis, P.G, Dodson, G.G.
Deposit date:2009-09-10
Release date:2010-09-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus
To be Published
5JPL
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BU of 5jpl by Molmil
LP2006, a handcuff-topology lasso peptide antibiotic
Descriptor: Uncharacterized protein
Authors:Tietz, J.I, Schwalen, C.J, Blair, P.M, Zakai, U.I, Mitchell, D.A.
Deposit date:2016-05-03
Release date:2017-03-01
Last modified:2024-11-20
Method:SOLUTION NMR
Cite:A new genome-mining tool redefines the lasso peptide biosynthetic landscape.
Nat. Chem. Biol., 13, 2017
4LNS
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BU of 4lns by Molmil
Crystal structure of Asparagine synthetase A (AsnA) from Trypanosoma brucei
Descriptor: Asparagine synthetase a
Authors:Khan, S, Madhubala, R, Sharma, A.
Deposit date:2013-07-12
Release date:2014-03-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification and functional characterization of a novel bacterial type asparagine synthetase A: a tRNA synthetase paralog from Leishmania donovani.
J.Biol.Chem., 289, 2014
3CTR
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BU of 3ctr by Molmil
Crystal structure of the RRM-domain of the poly(A)-specific ribonuclease PARN bound to m7GTP
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Poly(A)-specific ribonuclease PARN
Authors:Monecke, T, Schell, S, Dickmanns, A, Ficner, R.
Deposit date:2008-04-14
Release date:2008-07-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the RRM domain of poly(A)-specific ribonuclease reveals a novel m(7)G-cap-binding mode.
J.Mol.Biol., 382, 2008
3D4Y
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BU of 3d4y by Molmil
GOLGI MANNOSIDASE II complex with mannoimidazole
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ...
Authors:Kuntz, D.A, Tarling, C.A, Withers, S.G, Rose, D.R.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural analysis of Golgi alpha-mannosidase II inhibitors identified from a focused glycosidase inhibitor screen.
Biochemistry, 47, 2008
3CGD
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BU of 3cgd by Molmil
Pyridine Nucleotide Complexes with Bacillus anthracis Coenzyme A-Disulfide Reductase: A Structural Analysis of Dual NAD(P)H Specificity
Descriptor: COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Wallen, J.R.
Deposit date:2008-03-05
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Pyridine Nucleotide Complexes with Bacillus anthracis Coenzyme A-Disulfide Reductase: A Structural Analysis of Dual NAD(P)H Specificity.
Biochemistry, 47, 2008
3CV2
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BU of 3cv2 by Molmil
Atomic Resolution Structures of Escherichia coli and Bacillis anthracis Malate Synthase A: Comparison with Isoform G and Implications for Structure Based Drug Design
Descriptor: COENZYME A, MAGNESIUM ION, Malate synthase A, ...
Authors:Lohman, J.R, Remington, S.J.
Deposit date:2008-04-17
Release date:2008-11-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Atomic resolution structures of Escherichia coli and Bacillus anthracis malate synthase A: comparison with isoform G and implications for structure-based drug discovery
Protein Sci., 17, 2008
3CGC
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BU of 3cgc by Molmil
Pyridine Nucleotide Complexes with Bacillus anthracis Coenzyme A-Disulfide Reductase: A Structural Analysis of Dual NAD(P)H Specificity
Descriptor: COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, Pyridine nucleotide-disulfide oxidoreductase, ...
Authors:Wallen, J.R.
Deposit date:2008-03-05
Release date:2008-04-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pyridine Nucleotide Complexes with Bacillus anthracis Coenzyme A-Disulfide Reductase: A Structural Analysis of Dual NAD(P)H Specificity.
Biochemistry, 47, 2008
7RM5
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BU of 7rm5 by Molmil
MicroED structure of the human adenosine receptor at 2.8A
Descriptor: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, CHOLESTEROL, ...
Authors:Martynowycz, M.W, Shiriaeva, A, Ge, X, Hattne, J, Nannenga, B.L, Cherezov, V, Gonen, T.
Deposit date:2021-07-26
Release date:2021-09-08
Last modified:2024-11-20
Method:ELECTRON CRYSTALLOGRAPHY (2.79 Å)
Cite:MicroED structure of the human adenosine receptor determined from a single nanocrystal in LCP.
Proc.Natl.Acad.Sci.USA, 118, 2021
8ZWB
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BU of 8zwb by Molmil
1.8 A resolution structure of the Photosystem I assembly intermediate lacking stromal subunits.
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Naschberger, A, Komenda, J.
Deposit date:2024-06-12
Release date:2025-06-18
Method:ELECTRON MICROSCOPY (1.83 Å)
Cite:1.8 A resolution structure of the Photosystem I assembly intermediate lacking stromal subunits
To Be Published
9BHN
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BU of 9bhn by Molmil
Solution NMR structure of halichondamide A, a fused bicyclic cysteine knot undecapeptide from the marine sponge Halichondria bowerbanki
Descriptor: Halichondamide A
Authors:Agarwal, V, McShan, A.C, Zhong, W.
Deposit date:2024-04-21
Release date:2024-08-21
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Discovery and Folding Dynamics of a Fused Bicyclic Cysteine Knot Undecapeptide from the Marine Sponge Halichondria bowerbanki.
J.Org.Chem., 89, 2024
5KD2
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BU of 5kd2 by Molmil
BT_4244 metallopeptidase from Bacteroides thetaiotaomicron
Descriptor: 1,2-ETHANEDIOL, ZINC ION, metallopeptidase
Authors:Noach, I, Boraston, A.B.
Deposit date:2016-06-07
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Recognition of protein-linked glycans as a determinant of peptidase activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5JFM
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BU of 5jfm by Molmil
Crystal structure of Rhodopseudomonas palustris propionaldehyde dehydrogenase with bound propionyl-CoA
Descriptor: Aldehyde dehydrogenase, COENZYME A, propionyl Coenzyme A
Authors:Zarzycki, J, Sutter, M, Kerfeld, C.A.
Deposit date:2016-04-19
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.516 Å)
Cite:In Vitro Characterization and Concerted Function of Three Core Enzymes of a Glycyl Radical Enzyme - Associated Bacterial Microcompartment.
Sci Rep, 7, 2017

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数据于2025-07-09公开中

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