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3F5G
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BU of 3f5g by Molmil
Crystal structure of death associated protein kinase in complex with ADP and Mg2+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Death-associated protein kinase 1, MAGNESIUM ION
Authors:McNamara, L.K, Watterson, D.M, Brunzelle, J.S.
Deposit date:2008-11-03
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insight into nucleotide recognition by human death-associated protein kinase.
Acta Crystallogr.,Sect.D, 65, 2009
3F6P
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BU of 3f6p by Molmil
Crystal Structure of unphosphorelated receiver domain of YycF
Descriptor: Transcriptional regulatory protein yycF
Authors:Zhao, H, Tang, L.
Deposit date:2008-11-06
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Preliminary crystallographic studies of the regulatory domain of response regulator YycF from an essential two-component signal transduction system.
Acta Crystallogr.,Sect.F, 65, 2009
3FA8
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BU of 3fa8 by Molmil
Crystal structure of the apo R132K:Y134F:R111L:L121E mutant of cellular retinoic acid-binding protein II at 1.78 angstrom resolution
Descriptor: Cellular retinoic acid-binding protein 2
Authors:Jia, X, Geiger, J.H.
Deposit date:2008-11-16
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structures of apo cellular retinoic acid-binding protein II mutants: Structural integrity investigated through multiple site mutations
To be Published
3F7Z
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BU of 3f7z by Molmil
X-ray Co-Crystal Structure of Glycogen Synthase Kinase 3beta in Complex with an Inhibitor
Descriptor: 2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole, Glycogen synthase kinase-3 beta
Authors:Mol, C.D, Dougan, D.R.
Deposit date:2008-11-10
Release date:2009-03-10
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta.
Bioorg.Med.Chem., 17, 2009
5X3Y
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BU of 5x3y by Molmil
Refined solution structure of musashi1 RBD2
Descriptor: RNA-binding protein Musashi homolog 1
Authors:Iwaoka, R, Nagata, T, Tsuda, K, Imai, T, Okano, H, Kobayashi, N, Katahira, M.
Deposit date:2017-02-09
Release date:2017-12-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Insight into the Recognition of r(UAG) by Musashi-1 RBD2, and Construction of a Model of Musashi-1 RBD1-2 Bound to the Minimum Target RNA
Molecules, 22, 2017
3FC2
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BU of 3fc2 by Molmil
PLK1 in complex with BI6727
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Bader, G.
Deposit date:2008-11-21
Release date:2009-05-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:BI 6727, A Polo-like Kinase Inhibitor with Improved Pharmacokinetic Profile and Broad Antitumor Activity.
Clin.Cancer Res., 15, 2009
5X5J
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BU of 5x5j by Molmil
Crystal structure of response regulator AdeR receiver domain
Descriptor: AdeR
Authors:Wen, Y.
Deposit date:2017-02-16
Release date:2017-08-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Mechanistic insight into how multidrug resistant Acinetobacter baumannii response regulator AdeR recognizes an intercistronic region.
Nucleic Acids Res., 45, 2017
3FEN
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BU of 3fen by Molmil
Crystal structure of the R132K:R111L:A32E mutant of cellular retinoic acid-binding protein II at 1.56 angstrom resolution
Descriptor: CHLORIDE ION, Cellular retinoic acid-binding protein 2
Authors:Jia, X, Geiger, J.H.
Deposit date:2008-11-30
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structures of apo cellular retinoic acid-binding protein II mutants: Structural integrity investigated through multiple site mutations
To be Published
3FD7
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BU of 3fd7 by Molmil
Crystal structure of Onconase C87A/C104A-ONC
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Protein P-30, ...
Authors:Neumann, P, Schulenburg, C, Arnold, U, Ulbrich-Hofmann, R, Stubbs, M.T.
Deposit date:2008-11-25
Release date:2009-12-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.531 Å)
Cite:Impact of the C-terminal disulfide bond on the folding and stability of onconase.
Chembiochem, 11, 2010
3FI4
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BU of 3fi4 by Molmil
P38 kinase crystal structure in complex with RO4499
Descriptor: (2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Knapp, M, Dunten, P.
Deposit date:2008-12-10
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
3FME
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BU of 3fme by Molmil
Crystal Structure of Human Mitogen-Activated Protein Kinase Kinase 6 (MEK6) Activated Mutant (S207D, T211D)
Descriptor: Dual specificity mitogen-activated protein kinase kinase 6, STAUROSPORINE
Authors:Filippakopoulos, P, Barr, A, Pike, A.C.W, Berridge, G, Elkins, J, Fedorov, O, Keates, T, Savitsky, P, Soundararajan, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2008-12-21
Release date:2009-01-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal Structure of Human Mitogen-Activated Protein Kinase Kinase 6 (MEK6) Activated Mutant (S207D, T211D)
To be Published
3FMK
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BU of 3fmk by Molmil
P38 kinase crystal structure in complex with 6-(2,4-Difluoro-phenoxy)-8-methyl-2-((S)-1-methyl-2-tetrazol-2-yl-ethylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
Descriptor: 6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2008-12-22
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Discovery of Pamapimod and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
5XWJ
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BU of 5xwj by Molmil
Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, TRE, at pH 7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-THR-ARG-GLU Inhibitor, CALCIUM ION, ...
Authors:Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A.
Deposit date:2017-06-29
Release date:2018-03-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera.
Insect Biochem. Mol. Biol., 95, 2018
3FNS
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BU of 3fns by Molmil
Crystal structure of histo-aspartic protease (HAP) from Plasmodium Falciparum
Descriptor: HAP protein, ZINC ION
Authors:Bhaumik, P, Gustchina, A, Wlodawer, A.
Deposit date:2008-12-26
Release date:2009-05-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of the histo-aspartic protease (HAP) from Plasmodium falciparum.
J.Mol.Biol., 388, 2009
3FMN
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BU of 3fmn by Molmil
P38 kinase crystal structure in complex with RO2530
Descriptor: 6-(2,4-difluorophenoxy)-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-amine, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2008-12-22
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:P38 kinase crystal structure in complex with RO2530
To be Published
5X7K
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BU of 5x7k by Molmil
Crystal structure of the nucleotide-binding domain (NBD) of LipB, a ABC transporter subunit of a type I secretion system
Descriptor: Lipase B
Authors:Okano, H, Angkawidjaja, C, Takano, K.
Deposit date:2017-02-27
Release date:2017-11-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Basis for the Serratia marcescens Lipase Secretion System: Crystal Structures of the Membrane Fusion Protein and Nucleotide-Binding Domain
Biochemistry, 56, 2017
3F78
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BU of 3f78 by Molmil
Crystal structure of wild type LFA1 I domain complexed with isoflurane
Descriptor: 1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER, GLYCEROL, Integrin alpha-L, ...
Authors:Zhang, H, Wang, J.-H.
Deposit date:2008-11-07
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of isoflurane bound to integrin LFA-1 supports a unified mechanism of volatile anesthetic action in the immune and central nervous systems.
Faseb J., 23, 2009
3F7M
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BU of 3f7m by Molmil
Crystal structure of apo Cuticle-Degrading Protease (ver112) from Verticillium psalliotae
Descriptor: Alkaline serine protease ver112
Authors:Liang, L, Lou, Z, Ye, F, Meng, Z, Rao, Z, Zhang, K.
Deposit date:2008-11-09
Release date:2009-11-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structures of two cuticle-degrading proteases from nematophagous fungi and their contribution to infection against nematodes.
Faseb J., 24, 2010
3EYC
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BU of 3eyc by Molmil
New crystal structure of human tear lipocalin in complex with 1,4-butanediol in space group P21
Descriptor: 1,4-BUTANEDIOL, Lipocalin-1
Authors:Breustedt, D.A, Keil, L, Skerra, A.
Deposit date:2008-10-20
Release date:2009-10-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A new crystal form of human tear lipocalin reveals high flexibility in the loop region and induced fit in the ligand cavity
Acta Crystallogr.,Sect.D, 65, 2009
5XCO
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BU of 5xco by Molmil
Crystal structure of human K-Ras G12D Mutant in complex with GDP and Cyclic Inhibitory Peptide
Descriptor: 1,2-ETHANEDIOL, ACE-ARG-ARG-ARG-ARG-CYS-PRO-LEU-TYR-ILE-SER-TYR-ASP-PRO-VAL-CYS-ARG-ARG-ARG-ARG-NH2, GTPase KRas, ...
Authors:Sogabe, S, Miwa, M.
Deposit date:2017-03-23
Release date:2017-05-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structure of a Human K-Ras G12D Mutant in Complex with GDP and the Cyclic Inhibitory Peptide KRpep-2d
ACS Med Chem Lett, 8, 2017
3FKL
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BU of 3fkl by Molmil
P38 kinase crystal structure in complex with RO9552
Descriptor: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2H-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide
Authors:Kuglstatter, A, Ghate, M.
Deposit date:2008-12-17
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
3F2A
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BU of 3f2a by Molmil
Crystal structure of human Pim-1 in complex with DAPPA
Descriptor: (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid, MAGNESIUM ION, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Qian, K.
Deposit date:2008-10-29
Release date:2009-03-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hit to lead account of the discovery of a new class of inhibitors of Pim kinases and crystallographic studies revealing an unusual kinase binding mode.
J.Med.Chem., 52, 2009
5XNT
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BU of 5xnt by Molmil
Structure of CYP106A2 from Bacillus sp. PAMC 23377
Descriptor: Cytochrome P450 CYP106, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, C.W, Kim, K.-H, Bikash, D, Park, S.-H, Park, H, Oh, T.-J, Lee, J.H.
Deposit date:2017-05-24
Release date:2018-04-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure and Functional Characterization of a Cytochrome P450 (BaCYP106A2) fromBacillussp. PAMC 23377.
J. Microbiol. Biotechnol., 27, 2017
3FKO
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BU of 3fko by Molmil
P38 kinase crystal structure in complex with RO3668
Descriptor: 3-(2-chlorophenyl)-6-(2-fluorophenoxy)-2H-indazole, Mitogen-activated protein kinase 14
Authors:Kuglstatter, A, Knapp, M.
Deposit date:2008-12-17
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping Binding Pocket Volume: Potential Applications towards Ligand Design and Selectivity
To be Published
5XG9
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BU of 5xg9 by Molmil
Crystal Structure of PEG-bound SH3 domain of Myosin IB from Entamoeba histolytica
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, PENTAETHYLENE GLYCOL, ...
Authors:Gautam, G, Gourinath, S.
Deposit date:2017-04-13
Release date:2017-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of the PEG-bound SH3 domain of myosin IB from Entamoeba histolytica reveals its mode of ligand recognition
Acta Crystallogr D Struct Biol, 73, 2017

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数据于2025-01-22公开中

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