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4DEA
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BU of 4dea by Molmil
Aurora A in complex with YL1-038-18
Descriptor: 1,2-ETHANEDIOL, 4,4'-(pyrimidine-2,4-diyldiimino)dibenzoic acid, Aurora kinase A
Authors:Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2012-01-20
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors.
J.Med.Chem., 55, 2012
6E81
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BU of 6e81 by Molmil
Crystal structure of the Corn aptamer in complex with ThT
Descriptor: 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium, POTASSIUM ION, RNA (36-MER)
Authors:Sjekloca, L, Ferre-D'Amare, A.R.
Deposit date:2018-07-27
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.721 Å)
Cite:Binding between G Quadruplexes at the Homodimer Interface of the Corn RNA Aptamer Strongly Activates Thioflavin T Fluorescence.
Cell Chem Biol, 26, 2019
4DC4
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BU of 4dc4 by Molmil
Lysozyme Trimer
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
Authors:Sharma, P, Ashish
Deposit date:2012-01-17
Release date:2013-01-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.654 Å)
Cite:Characterization of heat induced spherulites of lysozyme reveals new insight on amyloid initiation
Sci Rep, 6, 2016
4DY5
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BU of 4dy5 by Molmil
Crystal structure of Salmonella Typhimurium PliG, a periplasmic lysozyme inhibitor of g-type lysozyme
Descriptor: CHLORIDE ION, GLYCEROL, Gifsy-1 prophage protein
Authors:Leysen, S, Theuwis, V, Vanderkelen, L, Michiels, C.W, Strelkov, S.V.
Deposit date:2012-02-28
Release date:2012-06-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural characterization of the PliG lysozyme inhibitor family.
J.Struct.Biol., 180, 2012
4DFW
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BU of 4dfw by Molmil
Oxime-based Post Solid-phase Peptide Diversification: Identification of High Affinity Polo-like Kinase 1 (Plk1) Polo-box Domain Binding Peptides
Descriptor: CHLORIDE ION, Peptide, Serine/threonine-protein kinase PLK1
Authors:Liu, F, Park, J.-E, Qian, W.-J, Lim, D, Gr ber, M, Berg, T, Yaffe, M.B, Lee, K.S, Burke Jr, T.R.
Deposit date:2012-01-24
Release date:2012-03-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Oxime-based Post Solid-phase Peptide Diversification: Identification of High Affinity Polo-like Kinase 1 (Plk1) Polo-box Domain Binding Peptides
Chem.Biol., 2012
1WGI
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BU of 1wgi by Molmil
STRUCTURE OF INORGANIC PYROPHOSPHATASE
Descriptor: INORGANIC PYROPHOSPHATASE, MANGANESE (II) ION
Authors:Heikinheimo, P, Goldman, A.
Deposit date:1996-10-24
Release date:1997-11-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structural basis for pyrophosphatase catalysis.
Structure, 4, 1996
1WGJ
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BU of 1wgj by Molmil
STRUCTURE OF INORGANIC PYROPHOSPHATASE
Descriptor: INORGANIC PYROPHOSPHATASE, MANGANESE (II) ION, PHOSPHATE ION
Authors:Heikinheimo, P, Lehtonen, J, Goldman, A.
Deposit date:1996-10-24
Release date:1997-11-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structural basis for pyrophosphatase catalysis.
Structure, 4, 1996
4DH8
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BU of 4dh8 by Molmil
Room temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, AMP-PNP and IP20
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2012-01-27
Release date:2012-06-27
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity.
Acta Crystallogr.,Sect.D, 68, 2012
4DOC
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BU of 4doc by Molmil
Ternary complex of dna polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monochlororomethylene triphosphate:binding of S-isomer
Descriptor: 5'-O-[(R)-{[(S)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine, C C G A C C G C G C A T C A G C, CHLORIDE ION, ...
Authors:Batra, V.K.
Deposit date:2012-02-09
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Beta,gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases
J.Am.Chem.Soc., 134, 2012
2MMB
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BU of 2mmb by Molmil
NMR structure of the protein YP_001712342.1 from Acinetobacter baumannii
Descriptor: Uncharacterized protein
Authors:Proudfoot, A, Serrano, P, Geralt, M, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
Deposit date:2014-03-14
Release date:2014-04-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure of the protein YP_002937094.1 from Eubacterium rectale
To be Published
4DY3
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BU of 4dy3 by Molmil
crystal structure of Escherichia coli PliG, a periplasmic lysozyme inhibitor of g-type lysozyme
Descriptor: GLYCEROL, Inhibitor of g-type lysozyme
Authors:Leysen, S, Vanheuverzwijn, S, Van Asten, K, Vanderkelen, L, Michiels, C.W, Strelkov, S.V.
Deposit date:2012-02-28
Release date:2012-06-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural characterization of the PliG lysozyme inhibitor family.
J.Struct.Biol., 180, 2012
7QHG
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BU of 7qhg by Molmil
LIM domain kinase 2 (LIMK2) in complex with TH-470
Descriptor: 1,2-ETHANEDIOL, 2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide, LIM domain kinase 2
Authors:Mathea, S, Salah, E, Hanke, T, Knapp, S.
Deposit date:2021-12-12
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Development and Characterization of Type I, Type II, and Type III LIM-Kinase Chemical Probes.
J.Med.Chem., 65, 2022
5I5U
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BU of 5i5u by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.40A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TETRAHYDRONAPHTHALENYL COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 2-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2016-02-15
Release date:2016-03-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.404 Å)
Cite:Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
J.Med.Chem., 59, 2016
1XD4
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BU of 1xd4 by Molmil
Crystal structure of the DH-PH-cat module of Son of Sevenless (SOS)
Descriptor: Son of sevenless protein homolog 1
Authors:Sondermann, H, Soisson, S.M, Boykevisch, S, Yang, S.S, Bar-Sagi, D, Kuriyan, J.
Deposit date:2004-09-03
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.64 Å)
Cite:Structural analysis of autoinhibition in the ras activator son of sevenless.
Cell(Cambridge,Mass.), 119, 2004
1XD2
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BU of 1xd2 by Molmil
Crystal Structure of a ternary Ras:SOS:Ras*GDP complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Sondermann, H, Soisson, S.M, Boykevisch, S, Yang, S.S, Bar-Sagi, D, Kuriyan, J.
Deposit date:2004-09-03
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural analysis of autoinhibition in the ras activator son of sevenless.
Cell(Cambridge,Mass.), 119, 2004
5IDW
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BU of 5idw by Molmil
Crystal structure of an oxidoreductase from Burkholderia vietnamiensis in complex with NADP
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-02-24
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of an oxidoreductase from Burkholderia vietnamiensis in complex with NADP
to be published
5WAB
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BU of 5wab by Molmil
Crystal Structure of Bifidobacterium adolescentis GH3 beta-glucosidase
Descriptor: GLYCEROL, Putative beta-glucosidase
Authors:Florindo, R.N, Nascimento, A.S, Polikarpov, I.
Deposit date:2017-06-26
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural and biochemical characterization of a GH3 beta-glucosidase from the probiotic bacteria Bifidobacterium adolescentis.
Biochimie, 148, 2018
4E0R
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BU of 4e0r by Molmil
Structure of the chicken MHC class I molecule BF2*0401
Descriptor: 8-MERIC PEPTIDE (FUS/TLS), Beta-2 microglobulin, MHC class I alpha chain 2
Authors:Zhang, J, Chen, Y, Qi, J, Gao, F, Kaufman, J, Xia, C, Gao, G.F.
Deposit date:2012-03-05
Release date:2012-11-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Narrow Groove and Restricted Anchors of MHC Class I Molecule BF2*0401 Plus Peptide Transporter Restriction Can Explain Disease Susceptibility of B4 Chickens.
J.Immunol., 189, 2012
1YMT
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BU of 1ymt by Molmil
Mouse SF-1 LBD
Descriptor: 1-CIS-9-OCTADECANOYL-2-CIS-9-HEXADECANOYL PHOSPHATIDYL GLYCEROL, Nuclear receptor 0B2, Steroidogenic factor 1
Authors:Krylova, I.N, Sablin, E.P, Moore, J, Xu, R.X, Waitt, G.M, Juzumiene, D, Bynum, J.M, Fletterick, R.J, Willson, T.M, Ingraham, H.A.
Deposit date:2005-01-21
Release date:2005-03-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1
Cell(Cambridge,Mass.), 120, 2005
4E1N
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BU of 4e1n by Molmil
Crystal Structure of HIV-1 Integrase with a non-catayltic site inhibitor
Descriptor: (2S)-tert-butoxy[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, HIV-1 integrase
Authors:Lansdon, E.B.
Deposit date:2012-03-06
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:New Class of HIV-1 Integrase (IN) Inhibitors with a Dual Mode of Action.
J.Biol.Chem., 287, 2012
5IJM
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BU of 5ijm by Molmil
Crystal Structure of an Acyl-CoA Binding Protein (LmjF.17.0620) of Leishmania major
Descriptor: Uncharacterized protein
Authors:Dangi, R.S, Pal, R.K, Sundd, M.
Deposit date:2016-03-02
Release date:2017-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal Structure of an Acyl-CoA Binding Protein (LmjF.17.0620) of Leishmania major
To Be Published
1YOW
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BU of 1yow by Molmil
human Steroidogenic Factor 1 LBD with bound Co-factor Peptide
Descriptor: PHOSPHATIDYL ETHANOL, Steroidogenic factor 1, TIF2 peptide
Authors:Krylova, I.N, Sablin, E.P, Xu, R.X, Waitt, G.M, Juzumiene, D, Williams, J.D, Ingraham, H.A, Willson, T.M, Williams, S.P, Montana, V, Madauss, K.P, Moore, J, Bynum, J.M, Lebedeva, L, MacKay, J.A, Suzawa, M, Guy, R.K, Thornton, J.W.
Deposit date:2005-01-28
Release date:2005-05-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural analyses reveal phosphatidyl inositols as ligands for the NR5 orphan receptors SF-1 and LRH-1
Cell(Cambridge,Mass.), 120, 2005
4E1M
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BU of 4e1m by Molmil
Crystal Structure of HIV-1 Integrase with a non-catayltic site inhibitor
Descriptor: (2S)-tert-butoxy[4-(3,4-dimethylphenyl)-2-methylquinolin-3-yl]ethanoic acid, HIV-1 Integrase
Authors:Lansdon, E.B.
Deposit date:2012-03-06
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:New Class of HIV-1 Integrase (IN) Inhibitors with a Dual Mode of Action.
J.Biol.Chem., 287, 2012
5I5W
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BU of 5i5w by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.40A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIARYL AMIDE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, Branched-chain-amino-acid aminotransferase, mitochondrial, ...
Authors:Somers, D.O.
Deposit date:2016-02-15
Release date:2016-03-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
J.Med.Chem., 59, 2016
5ICW
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BU of 5icw by Molmil
Crystal structure of human NatF (hNaa60) homodimer bound to Coenzyme A
Descriptor: CHLORIDE ION, COENZYME A, N-alpha-acetyltransferase 60
Authors:Stove, S.I, Magin, R.S, Marmorstein, R, Arnesen, T.
Deposit date:2016-02-23
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Crystal Structure of the Golgi-Associated Human N alpha-Acetyltransferase 60 Reveals the Molecular Determinants for Substrate-Specific Acetylation.
Structure, 24, 2016

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數據於2024-08-21公開中

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