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3MZ3
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BU of 3mz3 by Molmil
Crystal structure of Co2+ HDAC8 complexed with M344
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, COBALT (II) ION, Histone deacetylase 8, ...
Authors:Dowling, D.P, Gattis, S.G, Fierke, C.A, Christianson, D.W.
Deposit date:2010-05-11
Release date:2010-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of metal-substituted human histone deacetylase 8 provide mechanistic inferences on biological function.
Biochemistry, 49, 2010
3MZ4
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BU of 3mz4 by Molmil
Crystal structure of D101L Mn2+ HDAC8 complexed with M344
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, GLYCEROL, Histone deacetylase 8, ...
Authors:Dowling, D.P, Gattis, S.G, Fierke, C.A, Christianson, D.W.
Deposit date:2010-05-11
Release date:2010-06-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.845 Å)
Cite:Structures of metal-substituted human histone deacetylase 8 provide mechanistic inferences on biological function.
Biochemistry, 49, 2010
2Q0Q
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BU of 2q0q by Molmil
Structure of the Native M. Smegmatis Aryl Esterase
Descriptor: GLYCEROL, SULFATE ION, aryl esterase
Authors:Mathews, I.I, Soltis, M, Saldajeno, M, Ganshaw, G, Sala, R, Weyler, W, Cervin, M.A, Whited, G, Bott, R.
Deposit date:2007-05-22
Release date:2007-12-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a novel enzyme that catalyzes acyl transfer to alcohols in aqueous conditions.
Biochemistry, 46, 2007
4MMK
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BU of 4mmk by Molmil
Q8A Hfq from Pseudomonas aeruginosa
Descriptor: POTASSIUM ION, Protein hfq, SODIUM ION, ...
Authors:Murina, V.N, Filimonov, V.V, Melnik, B.S, Uhlein, M, Mueller, U, Weiss, M, Nikulin, A.D.
Deposit date:2013-09-09
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.156 Å)
Cite:Effect of conserved intersubunit amino Acid substitutions on hfq protein structure and stability.
Biochemistry Mosc., 79, 2014
3Q2D
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BU of 3q2d by Molmil
Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution
Descriptor: 5-nitro-1H-benzotriazole, Deoxyribose phosphate aldolase
Authors:Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Murphy, P, Dym, O, Albeck, S, Kiss, G, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
Deposit date:2010-12-20
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
J.Mol.Biol., 407, 2011
4OGY
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BU of 4ogy by Molmil
Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.1 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, ...
Authors:Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R.
Deposit date:2014-01-16
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014
4GU6
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BU of 4gu6 by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-{3-[(5-Cyano-2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-ylamino)- methyl]-pyridin-2-yl}-N-methyl-methanesulfonamide
Descriptor: Focal adhesion kinase 1, N-(3-{[(5-cyano-2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl}pyridin-2-yl)-N-methylmethanesulfonamide
Authors:Musil, D, Heinrich, T.
Deposit date:2012-08-29
Release date:2013-09-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment-based discovery of new highly substituted 1H-pyrrolo[2,3-b]- and 3H-imidazolo[4,5-b]-pyridines as focal adhesion kinase inhibitors.
J.Med.Chem., 56, 2013
3NJ8
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BU of 3nj8 by Molmil
Crystal structure of T. gondii enoyl acyl carrier protein reductase with bound triclosan like inhibitor
Descriptor: 3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile, Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Muench, S.P, Ruzheinikov, S.N, Rice, D.W.
Deposit date:2010-06-17
Release date:2010-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification and development of novel inhibitors of Toxoplasma gondii enoyl reductase.
J.Med.Chem., 53, 2010
2NXL
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BU of 2nxl by Molmil
Structure of HIV-1 protease D25N complexed with the rt-rh analogue peptide GLY-ALA-GLU-VAL-PHE*TYR-VAL-ASP-GLY-ALA
Descriptor: Analogue of RT-RH pol protease substrate peptide, PHOSPHATE ION, PROTEASE RETROPEPSIN
Authors:Prabu-Jeyabalan, M, Nalivaika, E, Schiffer, C.A.
Deposit date:2006-11-17
Release date:2007-09-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Computational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 protease
Proteins, 70, 2007
4HYK
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BU of 4hyk by Molmil
Dbh Ternary Complex (substrates partially disordered)
Descriptor: DNA (5'-D(*GP*GP*GP*AP*AP*GP*CP*CP*GP*G)-3'), DNA (5'-D(*TP*TP*CP*CP*GP*CP*CP*CP*CP*GP*GP*CP*TP*TP*CP*CP*C)-3'), DNA polymerase IV
Authors:Pata, J.D, Wilson, R.C.
Deposit date:2012-11-13
Release date:2013-01-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Y-family polymerase conformation is a major determinant of fidelity and translesion specificity.
Structure, 21, 2013
6A7I
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BU of 6a7i by Molmil
CYP154C4 from Streptomyces sp. W2061
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, C.W, Lee, J.H.
Deposit date:2018-07-03
Release date:2019-01-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Characterization of two steroid hydroxylases from different Streptomyces spp. and their ligand-bound and -unbound crystal structures.
Febs J., 286, 2019
2P8C
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BU of 2p8c by Molmil
Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579 complexed with N-succinyl Arg.
Descriptor: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein, N~2~-(3-CARBOXYPROPANOYL)-L-ARGININE
Authors:Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C.
Deposit date:2007-03-22
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prediction and assignment of function for a divergent N-succinyl amino acid racemase.
Nat.Chem.Biol., 3, 2007
4HWS
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BU of 4hws by Molmil
Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
Descriptor: N-{[3-(4-amino-2-chloroquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
Authors:Hilgers, M.T.
Deposit date:2012-11-08
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
2P88
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BU of 2p88 by Molmil
Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579
Descriptor: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein
Authors:Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C.
Deposit date:2007-03-22
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Prediction and assignment of function for a divergent N-succinyl amino acid racemase.
Nat.Chem.Biol., 3, 2007
2ABZ
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BU of 2abz by Molmil
Crystal structure of C19A/C43A mutant of leech carboxypeptidase inhibitor in complex with bovine carboxypeptidase A
Descriptor: Carboxypeptidase A1, Metallocarboxypeptidase inhibitor, ZINC ION
Authors:Arolas, J.L, Popowicz, G.M, Bronsoms, S, Aviles, F.X, Huber, R, Holak, T.A, Ventura, S.
Deposit date:2005-07-18
Release date:2006-01-31
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Study of a major intermediate in the oxidative folding of leech carboxypeptidase inhibitor: contribution of the fourth disulfide bond
J.Mol.Biol., 352, 2005
1ZZH
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BU of 1zzh by Molmil
Structure of the fully oxidized di-heme cytochrome c peroxidase from R. capsulatus
Descriptor: CALCIUM ION, HEME C, ZINC ION, ...
Authors:De Smet, L, Savvides, S.N, Van Horen, E, Pettigrew, G, Van Beeumen, J.J.
Deposit date:2005-06-14
Release date:2005-11-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and mutagenesis studies on the cytochrome c peroxidase from Rhodobacter capsulatus provide new insights into structure-function relationships of bacterial di-heme peroxidases
J.Biol.Chem., 281, 2006
4HWP
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BU of 4hwp by Molmil
Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor
Descriptor: N-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION
Authors:Hilgers, M.T.
Deposit date:2012-11-08
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.807 Å)
Cite:Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.
J.Med.Chem., 56, 2013
1YB0
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BU of 1yb0 by Molmil
Structure of PlyL
Descriptor: PHOSPHATE ION, ZINC ION, prophage LambdaBa02, ...
Authors:Low, L.Y, Yang, C, Perego, M, Osterman, A, Liddington, R.C.
Deposit date:2004-12-18
Release date:2005-08-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure and lytic activity of a Bacillus anthracis prophage endolysin
J.Biol.Chem., 280, 2005
2R6W
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BU of 2r6w by Molmil
Estrogen receptor alpha ligand-binding domain complexed to a SERM
Descriptor: Estrogen receptor, [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone
Authors:Wang, Y.
Deposit date:2007-09-06
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Prediction of the tissue-specificity of selective estrogen receptor modulators by using a single biochemical method.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1MEN
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BU of 1men by Molmil
complex structure of human GAR Tfase and substrate beta-GAR
Descriptor: GLYCINAMIDE RIBONUCLEOTIDE, Phosphoribosylglycinamide formyltransferase
Authors:Zhang, Y, Desharnais, J, Greasley, S.E, Beardsley, G.P, Boger, D.L, Wilson, I.A.
Deposit date:2002-08-08
Release date:2002-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal structures of human GAR Tfase of low and high pH and with substrate beta-GAR
Biochemistry, 41, 2002
7YOA
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BU of 7yoa by Molmil
High-resolution crystal structure of the mouse alpha-defensin cryptdin 14
Descriptor: Alpha-defensin 14, SULFATE ION
Authors:Yang, Y, Lu, W.
Deposit date:2022-08-01
Release date:2022-11-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Mouse alpha-Defensins: Structural and Functional Analysis of the 17 Cryptdin Isoforms Identified from a Single Jejunal Crypt.
Infect.Immun., 91, 2023
7Z3P
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BU of 7z3p by Molmil
Crystal structure of the mouse leptin:LepR-CRH2 encounter complex to 1.95 A resolution.
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Leptin, ...
Authors:Tsirigotaki, A, Verschueren, K, Savvides, S.N, Verstraete, K.
Deposit date:2022-03-02
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.943 Å)
Cite:Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
7Z3Q
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BU of 7z3q by Molmil
Crystal structure of the human leptin:LepR-CRH2 encounter complex to 3.6 A resolution.
Descriptor: Leptin, Leptin receptor
Authors:Verstraete, K, Verschueren, K, Alexandra, T, Savvides, S.N.
Deposit date:2022-03-02
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.617 Å)
Cite:Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
7YNI
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BU of 7yni by Molmil
Structure of human SGLT1-MAP17 complex bound with substrate 4D4FDG in the occluded conformation
Descriptor: (2R,3R,4R,5S,6R)-5-fluoranyl-6-(hydroxymethyl)oxane-2,3,4-triol, PDZK1-interacting protein 1, Sodium/glucose cotransporter 1
Authors:Chen, L, Niu, Y, Cui, W.
Deposit date:2022-07-31
Release date:2023-05-31
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structures of human SGLT in the occluded state reveal conformational changes during sugar transport.
Nat Commun, 14, 2023
7ZET
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BU of 7zet by Molmil
Crystal structure of human Clusterin, crystal form I
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Clusterin, ...
Authors:Yuste-Checa, P, Bracher, A, Hartl, F.U.
Deposit date:2022-03-31
Release date:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human Clusterin, crystal form I
To be published

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건을2024-07-17부터공개중

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