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PDB: 52565 results

6FTK
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BU of 6ftk by Molmil
Gp36-MPER
Descriptor: Envelope protein
Authors:D'Ursi, A.M, Grimaldi, M.
Deposit date:2018-02-22
Release date:2019-03-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR Structure of the FIV gp36 C-Terminal Heptad Repeat and Membrane-Proximal External Region.
Int J Mol Sci, 21, 2020
7JYD
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BU of 7jyd by Molmil
Human Liver Receptor Homolog-1 in Complex with 10CA and a Fragment of Tif2
Descriptor: 10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:D'Agostino, E.H, Mays, S.G, Ortlund, E.A.
Deposit date:2020-08-30
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
7JYE
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BU of 7jye by Molmil
Human Liver Receptor Homolog-1 in Complex with 9ChoP and a Fragment of Tif2
Descriptor: 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:D'Agostino, E.H, Mays, S.G, Ortlund, E.A.
Deposit date:2020-08-30
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.551 Å)
Cite:Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
4IU5
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BU of 4iu5 by Molmil
Crystal structure of Leishmania mexicana arginase in complex with catalytic product L-ornithine
Descriptor: Arginase, GLYCEROL, L-ornithine, ...
Authors:D'Antonio, E.L, Ullman, B, Roberts, S.C, Gaur Dixit, U, Wilson, M.E, Hai, Y, Christianson, D.W.
Deposit date:2013-01-19
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of arginase from Leishmania mexicana and implications for the inhibition of polyamine biosynthesis in parasitic infections.
Arch.Biochem.Biophys., 535, 2013
8SP5
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BU of 8sp5 by Molmil
LINE-1 retrotransposon endonuclease domain complex with Mn2+
Descriptor: LINE-1 retrotransposon endonuclease, MANGANESE (II) ION, SULFATE ION
Authors:D'Ordine, A.M, Jogl, G, Sedivy, J.M.
Deposit date:2023-05-02
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Identification and characterization of small molecule inhibitors of the LINE-1 retrotransposon endonuclease.
Nat Commun, 15, 2024
4GSZ
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BU of 4gsz by Molmil
Crystal Structure of the Zn2+5-Human Arginase I-ABH Complex
Descriptor: 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase-1, ZINC ION
Authors:D'Antonio, E.L, Hai, Y, Christianson, D.W.
Deposit date:2012-08-28
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and function of non-native metal clusters in human arginase I.
Biochemistry, 51, 2012
4GSV
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BU of 4gsv by Molmil
Crystal Structure of the Ni2+2-Human Arginase I-ABH complex
Descriptor: 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase-1, NICKEL (II) ION
Authors:D'Antonio, E.L, Hai, Y, Christianson, D.W.
Deposit date:2012-08-28
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structure and function of non-native metal clusters in human arginase I.
Biochemistry, 51, 2012
4GWC
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BU of 4gwc by Molmil
Crystal Structure of Mn2+2,Zn2+-Human Arginase I
Descriptor: Arginase-1, MANGANESE (II) ION, ZINC ION
Authors:D'Antonio, E.L, Hai, Y, Christianson, D.W.
Deposit date:2012-09-01
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and function of non-native metal clusters in human arginase I.
Biochemistry, 51, 2012
4GSM
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BU of 4gsm by Molmil
Crystal Structure of Ni2+2-Human Arginase I
Descriptor: Arginase-1, NICKEL (II) ION
Authors:D'Antonio, E.L, Hai, Y, Christianson, D.W.
Deposit date:2012-08-28
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and function of non-native metal clusters in human arginase I.
Biochemistry, 51, 2012
4GWD
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BU of 4gwd by Molmil
Crystal Structure of the Mn2+2,Zn2+-Human Arginase I-ABH Complex
Descriptor: 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase-1, MANGANESE (II) ION, ...
Authors:D'Antonio, E.L, Hai, Y, Christianson, D.W.
Deposit date:2012-09-01
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structure and function of non-native metal clusters in human arginase I.
Biochemistry, 51, 2012
3GLX
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BU of 3glx by Molmil
Crystal Structure Analysis of the DtxR(E175K) complexed with Ni(II)
Descriptor: Diphtheria toxin repressor, NICKEL (II) ION, PHOSPHATE ION
Authors:D'Aquino, J.A, Denninger, A, Moulin, A, D'Aquino, K.E, Ringe, D.
Deposit date:2009-03-12
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Decreased sensitivity to changes in the concentration of metal ions as the basis for the hyperactivity of DtxR(E175K).
J.Mol.Biol., 390, 2009
1XCV
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BU of 1xcv by Molmil
Crystal Structure Of (H79AC102D)Dtxr complexed with Nickel(II)
Descriptor: Diphtheria toxin repressor mutant, NICKEL (II) ION
Authors:D'aquino, J.A, Ringe, D.
Deposit date:2004-09-03
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of metal ion activation of the diphtheria toxin repressor DtxR.
Proc.Natl.Acad.Sci.USA, 102, 2005
7MPZ
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BU of 7mpz by Molmil
HNH Nuclease Domain from G. stearothermophilus Cas9
Descriptor: CRISPR-associated endonuclease Cas9
Authors:D'Ordine, A.M, Belato, H.B, Lisi, G.P, Jogl, G.
Deposit date:2021-05-05
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural and dynamic insights into the HNH nuclease of divergent Cas9 species.
J.Struct.Biol., 214, 2021
2VGO
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BU of 2vgo by Molmil
Crystal structure of Aurora B kinase in complex with Reversine inhibitor
Descriptor: INNER CENTROMERE PROTEIN A, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine, SERINE/THREONINE-PROTEIN KINASE 12-A
Authors:D'Alise, A.M, Amabile, G, Iovino, M, Di Giorgio, F.P, Bartiromo, M, Sessa, F, Villa, F, Musacchio, A, Cortese, R.
Deposit date:2007-11-15
Release date:2008-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Reversine, a Novel Aurora Kinases Inhibitor, Inhibits Colony Formation of Human Acute Myeloid Leukemia Cells.
Mol.Cancer Ther., 7, 2008
3HJP
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BU of 3hjp by Molmil
The crystal structure of Bcp4 from Sulfolobus Solfataricus
Descriptor: CHLORIDE ION, Peroxiredoxin, bacterioferritin comigratory protein homolog (Bcp-4)
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2009-05-22
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Exploring the catalytic mechanism of the first dimeric Bcp: functional, structural and docking analysis
To be Published
1P92
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BU of 1p92 by Molmil
Crystal Structure of (H79A)DtxR
Descriptor: BETA-MERCAPTOETHANOL, Diphtheria toxin repressor
Authors:D'Aquino, J.A, Ringe, D.
Deposit date:2003-05-08
Release date:2004-05-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Determinants of the SRC homology domain 3-like fold.
J.Bacteriol., 185, 2003
3EFJ
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BU of 3efj by Molmil
Structure of c-Met with pyrimidone inhibitor 7
Descriptor: 2-benzyl-5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor
Authors:D'Angelo, N, Bellon, S, Whittington, D.
Deposit date:2008-09-09
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis, and biological evaluation of potent c-Met inhibitors.
J.Med.Chem., 51, 2008
2WVI
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BU of 2wvi by Molmil
Crystal Structure of the N-terminal Domain of BubR1
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, MITOTIC CHECKPOINT SERINE/THREONINE-PROTEIN KINASE BUB1 BETA, ...
Authors:D'Arcy, S, Davies, O.R, Blundell, T.L, Bolanos-Garcia, V.M.
Deposit date:2009-10-16
Release date:2010-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Defining the Molecular Basis of Bubr1 Kinetochore Interactions and Anaphase-Promoting Complex/Cyclosome (Apc/C)-Cdc20 Inhibition
J.Biol.Chem., 285, 2010
4ITY
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BU of 4ity by Molmil
Crystal structure of Leishmania mexicana arginase
Descriptor: Arginase, GLYCEROL, MANGANESE (II) ION
Authors:D'Antonio, E.L, Ullman, B, Roberts, S.C, Gaur Dixit, U, Wilson, M.E, Hai, Y, Christianson, D.W.
Deposit date:2013-01-19
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of arginase from Leishmania mexicana and implications for the inhibition of polyamine biosynthesis in parasitic infections.
Arch.Biochem.Biophys., 535, 2013
4IU4
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BU of 4iu4 by Molmil
Crystal structure of Leishmania mexicana arginase in complex with inhibitor BEC
Descriptor: Arginase, BETA-MERCAPTOETHANOL, GLYCEROL, ...
Authors:D'Antonio, E.L, Ullman, B, Roberts, S.C, Gaur Dixit, U, Wilson, M.E, Hai, Y, Christianson, D.W.
Deposit date:2013-01-19
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of arginase from Leishmania mexicana and implications for the inhibition of polyamine biosynthesis in parasitic infections.
Arch.Biochem.Biophys., 535, 2013
4IU1
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BU of 4iu1 by Molmil
Crystal structure of Leishmania mexicana arginase in complex with inhibitor nor-NOHA
Descriptor: Arginase, GLYCEROL, MANGANESE (II) ION, ...
Authors:D'Antonio, E.L, Ullman, B, Roberts, S.C, Gaur Dixit, U, Wilson, M.E, Hai, Y, Christianson, D.W.
Deposit date:2013-01-19
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of arginase from Leishmania mexicana and implications for the inhibition of polyamine biosynthesis in parasitic infections.
Arch.Biochem.Biophys., 535, 2013
5WG8
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BU of 5wg8 by Molmil
Structure of PP5C with LB-100; 7-oxabicyclo[2.2.1]heptane-2,3-dicarbonyl moiety modeled in the density
Descriptor: (1S,2R,3S,4R)-3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
Authors:D'Arcy, B.M, Swingle, M.R, Honkanen, R.E, Prakash, A.
Deposit date:2017-07-13
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Antitumor Drug LB-100 Is a Catalytic Inhibitor of Protein Phosphatase 2A (PPP2CA) and 5 (PPP5C) Coordinating with the Active-Site Catalytic Metals in PPP5C.
Mol. Cancer Ther., 18, 2019
4IU0
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BU of 4iu0 by Molmil
Crystal structure of Leishmania mexicana arginase in complex with inhibitor ABH
Descriptor: 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase, GLYCEROL, ...
Authors:D'Antonio, E.L, Ullman, B, Roberts, S.C, Gaur Dixit, U, Wilson, M.E, Hai, Y, Christianson, D.W.
Deposit date:2013-01-19
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of arginase from Leishmania mexicana and implications for the inhibition of polyamine biosynthesis in parasitic infections.
Arch.Biochem.Biophys., 535, 2013
5CLU
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BU of 5clu by Molmil
THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH A SACCHARINE DERIVATIVE
Descriptor: (1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid, Carbonic anhydrase 2, GLYCEROL, ...
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2015-07-16
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases.
Chemistry, 22, 2016
2ZYQ
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BU of 2zyq by Molmil
Crystal structure of the HsaC extradiol dioxygenase from M. tuberculosis
Descriptor: D(-)-TARTARIC ACID, FE (II) ION, PROBABLE BIPHENYL-2,3-DIOL 1,2-DIOXYGENASE BPHC
Authors:D'Angelo, I, Yam, K.C, Eltis, L.D, Strynadka, N.
Deposit date:2009-01-28
Release date:2009-03-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Studies of a ring-cleaving dioxygenase illuminate the role of cholesterol metabolism in the pathogenesis of Mycobacterium tuberculosis.
Plos Pathog., 5, 2009

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数据于2024-06-12公开中

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