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2KA9
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BU of 2ka9 by Molmil
Solution structure of PSD-95 PDZ12 complexed with cypin peptide
Descriptor: Disks large homolog 4, cypin peptide
Authors:Wang, W.N, Weng, J.W, Zhang, X, Liu, M.L, Zhang, M.J.
Deposit date:2008-11-03
Release date:2009-06-23
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Creating conformational entropy by increasing interdomain mobility in ligand binding regulation: a revisit to N-terminal tandem PDZ domains of PSD-95
J.Am.Chem.Soc., 131, 2009
2OM5
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BU of 2om5 by Molmil
N-Terminal Fragment of Human TAX1
Descriptor: Contactin 2
Authors:Moertl, M, Sonderegger, P, Diederichs, K, Welte, W.
Deposit date:2007-01-20
Release date:2007-11-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:The crystal structure of the ligand-binding module of human TAG-1 suggests a new mode of homophilic interaction
Protein Sci., 16, 2007
2P1M
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BU of 2p1m by Molmil
TIR1-ASK1 complex structure
Descriptor: INOSITOL HEXAKISPHOSPHATE, SKP1-like protein 1A, TRANSPORT INHIBITOR RESPONSE 1 protein
Authors:Tan, X, Calderon-Villalobos, L.I.A, Sharon, M, Robinson, C.V, Estelle, M, Zheng, N.
Deposit date:2007-03-05
Release date:2007-04-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of auxin perception by the TIR1 ubiquitin ligase
Nature, 446, 2007
1ZDN
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BU of 1zdn by Molmil
Ubiquitin-conjugating enzyme E2S
Descriptor: SODIUM ION, Ubiquitin-conjugating enzyme E2S
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2005-04-14
Release date:2005-05-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
3KNS
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BU of 3kns by Molmil
Bacillus cereus metallo-beta-lactamase Cys221Asp mutant, 20 mM Zn(II)
Descriptor: ACETIC ACID, Beta-lactamase 2, GLYCEROL, ...
Authors:Medrano Martin, F.J, Gonzalez, J.M, Vila, A.J.
Deposit date:2009-11-12
Release date:2010-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Metallo-beta-lactamases withstand low Zn(II) conditions by tuning metal-ligand interactions.
Nat.Chem.Biol., 8, 2012
4FEL
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BU of 4fel by Molmil
Crystal structure of the U25A/A46G mutant of the xpt-pbuX guanine riboswitch aptamer domain in complex with hypoxanthine
Descriptor: ACETATE ION, COBALT HEXAMMINE(III), HYPOXANTHINE, ...
Authors:Stoddard, C.D, Trausch, J.J, Widmann, J, Marcano, J, Knight, R, Batey, R.T.
Deposit date:2012-05-30
Release date:2013-02-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Nucleotides Adjacent to the Ligand-Binding Pocket are Linked to Activity Tuning in the Purine Riboswitch.
J.Mol.Biol., 425, 2013
5ES4
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BU of 5es4 by Molmil
RE-REFINEMENT OF INTEGRIN ALPHAXBETA2 ECTODOMAIN IN THE CLOSED/BENT CONFORMATION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Sen, M, Springer, T.A.
Deposit date:2015-11-16
Release date:2016-03-02
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Leukocyte integrin alpha L beta 2 headpiece structures: The alpha I domain, the pocket for the internal ligand, and concerted movements of its loops.
Proc.Natl.Acad.Sci.USA, 113, 2016
1N1G
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BU of 1n1g by Molmil
Crystal structure of Leishmania mexicana Glycerol-3-phosphate dehydrogenase with inhibitor BCP
Descriptor: 2-BROMO-6-CHLORO-PURINE, PALMITIC ACID, glycerol-3-phosphate dehydrogenase
Authors:Choe, J, Hol, W.G.
Deposit date:2002-10-17
Release date:2003-10-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Anomalous differences of light elements in determining precise binding modes of ligands to glycerol-3-phosphate dehydrogenase.
Chem.Biol., 9, 2002
4XLD
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BU of 4xld by Molmil
Crystal structure of the human PPARg-LBD/rosiglitazone complex obtained by dry co-crystallization and in situ diffraction
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), FORMIC ACID, ...
Authors:Delfosse, V, Guichou, J.-F.
Deposit date:2015-01-13
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
4OYT
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BU of 4oyt by Molmil
Crystal structure of ternary complex of Plasmodium vivax SHMT with D-serine and folinic acid
Descriptor: (2R)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-oxidanyl-propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U.
Deposit date:2014-02-13
Release date:2014-12-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
5LIV
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BU of 5liv by Molmil
Crystal structure of myxobacterial CYP260A1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome P450 CYP260A1,Cytochrome P450 CYP260A1, DIMETHYL SULFOXIDE, ...
Authors:Carius, Y, Khatri, Y, Bernhardt, R, Lancaster, C.R.D.
Deposit date:2016-07-15
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural characterization of CYP260A1 from Sorangium cellulosum to investigate the 1 alpha-hydroxylation of a mineralocorticoid.
FEBS Lett., 590, 2016
4XNE
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BU of 4xne by Molmil
Crystal structure of ERK2 in complex with an inhibitor
Descriptor: 1-phenyl-1H-1,2,4-triazole-3,5-diamine, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
Deposit date:2015-01-15
Release date:2015-08-12
Last modified:2015-08-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
4B0R
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BU of 4b0r by Molmil
Structure of the Deamidase-Depupylase Dop of the Prokaryotic Ubiquitin-like Modification Pathway
Descriptor: DEAMIDASE-DEPUPYLASE DOP
Authors:Ozcelik, D, Barandun, J, Schmitz, N, Sutter, M, Guth, E, Damberger, F.F, Allain, F.H.-T, Ban, N, Weber-Ban, E.
Deposit date:2012-07-04
Release date:2012-09-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of Pup ligase PafA and depupylase Dop from the prokaryotic ubiquitin-like modification pathway.
Nat Commun, 3, 2012
4B9K
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BU of 4b9k by Molmil
pVHL-ELOB-ELOC complex_(2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide bound
Descriptor: (2S,4R)-1-(3-amino-2-methylbenzoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide, ACETATE ION, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ...
Authors:Buckley, D.L, Gustafson, J.L, VanMolle, I, Roth, A.G, SeopTae, H, Gareiss, P.C, Jorgensen, W.L, Ciulli, A, Crews, C.M.
Deposit date:2012-09-05
Release date:2012-10-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small-Molecule Inhibitors of the Interaction between the E3 Ligase Vhl and Hif1 Alpha
Angew.Chem.Int.Ed.Engl., 51, 2012
4XP2
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BU of 4xp2 by Molmil
Crystal structure of ERK2 in complex with an inhibitor
Descriptor: 1-phenyl-1H-1,2,4-triazole-3,5-diamine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
Authors:Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
Deposit date:2015-01-16
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
1R4U
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BU of 1r4u by Molmil
URATE OXIDASE FROM ASPERGILLUS FLAVUS COMPLEXED WITH ITS INHIBITOR OXONIC ACID
Descriptor: OXONIC ACID, Uricase
Authors:Retailleau, P, Colloc'h, N, Prange, T.
Deposit date:2003-10-08
Release date:2004-03-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Complexed and ligand-free high-resolution structures of urate oxidase (Uox) from Aspergillus flavus: a reassignment of the active-site binding mode.
Acta Crystallogr.,Sect.D, 60, 2004
3LSD
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BU of 3lsd by Molmil
N-Domain of human adhesion/growth-regulatory galectin-9
Descriptor: Galectin-9
Authors:Ruiz, F.M, Romero, A.
Deposit date:2010-02-12
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:N-domain of human adhesion/growth-regulatory galectin-9: preference for distinct conformers and non-sialylated N-glycans and detection of ligand-induced structural changes in crystal and solution.
Int.J.Biochem.Cell Biol., 42, 2010
4XN6
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BU of 4xn6 by Molmil
Crystal structure at room temperature of hen-egg lysozyme in complex with benzamidine
Descriptor: BENZAMIDINE, Lysozyme C
Authors:Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
Deposit date:2015-01-15
Release date:2015-08-12
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
4PFN
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BU of 4pfn by Molmil
Crystal structure of Plasmodium vivax SHMT with L-serine Schiff base
Descriptor: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, SERINE, ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U.
Deposit date:2014-04-30
Release date:2014-12-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
4XOZ
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BU of 4xoz by Molmil
Crystal structure of ERK2 in complex with an inhibitor
Descriptor: Mitogen-activated protein kinase 1, N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine, SULFATE ION
Authors:Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
Deposit date:2015-01-16
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
4LM5
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BU of 4lm5 by Molmil
Crystal structure of Pim1 in complex with 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol (resulting from displacement of SKF86002)
Descriptor: 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S.
Deposit date:2013-07-10
Release date:2014-02-12
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002.
Acta Crystallogr.,Sect.D, 70, 2014
3LSE
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BU of 3lse by Molmil
N-Domain of human adhesion/growth-regulatory galectin-9 in complex with lactose
Descriptor: Galectin-9, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Ruiz, F.M, Romero, A.
Deposit date:2010-02-12
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:N-domain of human adhesion/growth-regulatory galectin-9: preference for distinct conformers and non-sialylated N-glycans and detection of ligand-induced structural changes in crystal and solution.
Int.J.Biochem.Cell Biol., 42, 2010
8BZX
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BU of 8bzx by Molmil
1-deoxy-D-xylulose 5-phosphate synthase from Klebsiella pneumoniae (kpDXPS),co-crystal with thiamine monophosphate analog
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase, 2-[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-3-methyl-5-propanoyl-thiophen-2-yl]ethyl dihydrogen phosphate, MAGNESIUM ION
Authors:Hamid, R.
Deposit date:2022-12-15
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design of thiamine analogues for inhibition of thiamine diphosphate (ThDP)-dependent enzymes: Systematic investigation through Scaffold-Hopping and C2-Functionalisation.
Bioorg.Chem., 138, 2023
5Y9W
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BU of 5y9w by Molmil
Crystal 1 for AtLURE1.2-AtPRK6LRR
Descriptor: Pollen receptor-like kinase 6, Protein LURE 1.2, SULFATE ION
Authors:Chai, J, Zhang, X.
Deposit date:2017-08-28
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Structural basis for receptor recognition of pollen tube attraction peptides.
Nat Commun, 8, 2017
1WY8
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BU of 1wy8 by Molmil
Solution Structure of the N-terminal Ubiquitin-like Domain in Human Np95/ICBP90-like Ring Finger Protein (NIRF)
Descriptor: Np95-like ring finger protein, isoform a
Authors:Zhao, C, Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-02-09
Release date:2005-08-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of the N-terminal Ubiquitin-like Domain in Human Np95/ICBP90-like Ring Finger Protein (NIRF)
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数据于2024-07-31公开中

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