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3FG6
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BU of 3fg6 by Molmil
Structure of the C-terminus of Adseverin
Descriptor: Adseverin, CALCIUM ION
Authors:Robinson, R.C.
Deposit date:2008-12-05
Release date:2009-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:The crystal structure of the C-terminus of adseverin reveals the actin-binding interface.
Proc.Natl.Acad.Sci.USA, 106, 2009
4I54
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BU of 4i54 by Molmil
Crystal structure of clade A/E 93TH057 HIV-1 gp120 H375S core in complex with DMJ-II-121
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 glycoprotein, ...
Authors:Le-Khac, M, Hendrickson, W.A.
Deposit date:2012-11-28
Release date:2013-05-29
Last modified:2021-05-26
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Design and Synthesis of an HIV-1 Entry Inhibitor Exploiting X-Ray and Thermodynamic Characterization.
ACS Med Chem Lett, 4, 2013
2V63
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BU of 2v63 by Molmil
Crystal structure of Rubisco from Chlamydomonas reinhardtii with a large-subunit V331A mutation
Descriptor: 1,2-ETHANEDIOL, 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Karkehabadi, S, Satagopagan, S, Taylor, T.C, Spreitzer, R.J, Andersson, I.
Deposit date:2007-07-13
Release date:2007-07-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Analysis of Altered Large-Subunit Loop-6-Carboxy-Terminus Interactions that Influence Catalytic Efficiency and Co2 O2 Specificity of Ribulose-1,5-Bisphosphate Carboxylase Oxygenase
Biochemistry, 46, 2007
4HXS
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BU of 4hxs by Molmil
Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]-1-PHENYLMETHANESULFONAMIDE inhibitor
Descriptor: Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide
Authors:Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
Deposit date:2012-11-12
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
5DR4
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BU of 5dr4 by Molmil
Endothiapepsin in complex with fragment 231
Descriptor: 7-methyl-3,4-dihydro-2~{H}-pyrido[1,2-a]pyrimidin-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2015-09-15
Release date:2016-09-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
3FHA
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BU of 3fha by Molmil
Structure of endo-beta-N-acetylglucosaminidase A
Descriptor: CALCIUM ION, Endo-beta-N-acetylglucosaminidase, GLYCEROL, ...
Authors:Yin, J, Li, L, Shaw, N, Li, Y, Song, J.K, Zhang, W, Xia, C, Zhang, R, Joachimiak, A, Zhang, H.C, Wang, L.X, Wang, P, Liu, Z.J.
Deposit date:2008-12-09
Release date:2009-04-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis and catalytic mechanism for the dual functional endo-beta-N-acetylglucosaminidase A.
Plos One, 4, 2009
3FA3
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BU of 3fa3 by Molmil
Crystal structure of 2,3-dimethylmalate lyase, a PEP mutase/isocitrate lyase superfamily member, trigonal crystal form
Descriptor: 2,2-difluoro-3,3-dihydroxybutanedioic acid, 2,3-dimethylmalate lyase, GLYCEROL, ...
Authors:Narayanan, B.C, Herzberg, O.
Deposit date:2008-11-14
Release date:2009-01-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and function of 2,3-dimethylmalate lyase, a PEP mutase/isocitrate lyase superfamily member.
J.Mol.Biol., 386, 2009
2V69
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BU of 2v69 by Molmil
Crystal structure of Chlamydomonas reinhardtii Rubisco with a large- subunit mutation D473E
Descriptor: 1,2-ETHANEDIOL, 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Karkehabadi, S, Satagopan, S, Taylor, T.C, Spreitzer, R.J, Andersson, I.
Deposit date:2007-07-14
Release date:2007-07-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Analysis of Altered Large-Subunit Loop-6-Carboxy-Terminus Interactions that Influence Catalytic Efficiency and Co2-O2 Specificity of Ribulose-1,5-Bisphosphate Carboxylase Oxygenase
Biochemistry, 46, 2007
5DS9
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BU of 5ds9 by Molmil
Crystal structure of Fis bound to 27bp DNA F1-8A (AAATTAGTTTGAATTTTGAGCTAATTT)
Descriptor: DNA (27-MER), DNA-binding protein Fis
Authors:Hancock, S.P, Cascio, D, Johnson, R.C.
Deposit date:2015-09-17
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.561 Å)
Cite:DNA Sequence Determinants Controlling Affinity, Stability and Shape of DNA Complexes Bound by the Nucleoid Protein Fis.
Plos One, 11, 2016
2F3D
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BU of 2f3d by Molmil
Mechanism of displacement of a catalytically essential loop from the active site of fructose-1,6-bisphosphatase
Descriptor: 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
Authors:Iancu, C.V, Mukund, S, Choe, J.-Y, Fromm, H.J, Honzatko, R.B.
Deposit date:2005-11-21
Release date:2006-04-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Mechanism of displacement of a catalytically essential loop from the active site of mammalian fructose-1,6-bisphosphatase.
Biochemistry, 52, 2013
5DSZ
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BU of 5dsz by Molmil
Gamma-subunit of the translation initiation factor 2 from S. solfataricus
Descriptor: Translation initiation factor 2 subunit gamma
Authors:Kravchenko, O.V, Nikonov, O.S, Stolboushkina, E.A, Nevskaya, N.A, Nikulin, A.D, Garber, M.B, Nikonov, S.V.
Deposit date:2015-09-17
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Gamma-subunit of the translation initiation factor 2 from S. solfataricus
To Be Published
2XQ1
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BU of 2xq1 by Molmil
Crystal structure of peroxisomal catalase from the yeast Hansenula polymorpha
Descriptor: PEROXISOMAL CATALASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Penya-Soler, E, Vega, M.C, Wilmanns, M, Williams, C.P.
Deposit date:2010-08-31
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Features of Peroxisomal Catalase from the Yeast Hansenula Polymorpha
Acta Crystallogr.,Sect.D, 67, 2011
5DTS
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BU of 5dts by Molmil
Fragments bound to the OXA-48 beta-lactamase: Compound 2
Descriptor: 3-(pyridin-3-yl)benzoic acid, Beta-lactamase, CHLORIDE ION
Authors:Lund, B.A, Christopeit, T, Leiros, H.-K.S.
Deposit date:2015-09-18
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.94015872 Å)
Cite:Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening.
J.Med.Chem., 59, 2016
4Z6V
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BU of 4z6v by Molmil
Structure of H200Q variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with 4-nitrocatechol at 1.37 Ang resolution
Descriptor: 4-NITROCATECHOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Kovaleva, E.G, Lipscomb, J.D.
Deposit date:2015-04-06
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015
3FBV
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BU of 3fbv by Molmil
Crystal structure of the oligomer formed by the kinase-ribonuclease domain of Ire1
Descriptor: N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Korennykh, A.V, Egea, P.F, Korostelev, A.A, Finer-Moore, J, Zhang, C, Shokat, K.M, Stroud, R.M, Walter, P.
Deposit date:2008-11-19
Release date:2008-12-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The unfolded protein response signals through high-order assembly of Ire1.
Nature, 457, 2009
6BXQ
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BU of 6bxq by Molmil
Crystal Structure of HLA-B*57:01 with an HIV peptide RKV
Descriptor: Beta-2-microglobulin, HIV peptide RKV, MHC class I antigen
Authors:Gras, S, Rossjohn, J.
Deposit date:2017-12-18
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Identification of Native and Posttranslationally Modified HLA-B*57:01-Restricted HIV Envelope Derived Epitopes Using Immunoproteomics.
Proteomics, 18, 2018
4HZK
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BU of 4hzk by Molmil
Crystal structure of free CRM1 (crystal form 2)
Descriptor: CRM1 Nuclear transport receptor
Authors:Monecke, T, Neumann, P, Dickmanns, A, Ficner, R.
Deposit date:2012-11-15
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for cooperativity of CRM1 export complex formation.
Proc.Natl.Acad.Sci.USA, 110, 2013
1MPW
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BU of 1mpw by Molmil
Molecular Recognition in (+)-a-Pinene Oxidation by Cytochrome P450cam
Descriptor: (+)-alpha-Pinene, CYTOCHROME P450CAM, POTASSIUM ION, ...
Authors:Bell, S.G, Chen, X, Sowden, R.J, Xu, F, Willams, J.N, Wong, L.-L, Rao, Z.
Deposit date:2002-09-13
Release date:2002-10-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Molecular recognition in (+)-alpha-pinene oxidation by cytochrome P450cam
J.Am.Chem.Soc., 125, 2003
2XZU
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BU of 2xzu by Molmil
CRYSTAL STRUCTURE OF A COMPLEX BETWEEN THE WILD-TYPE LACTOCOCCUS LACTIS FPG (MUTM) AND AN OXIDIZED PYRIMIDINE CONTAINING DNA AT 310K
Descriptor: 5'-D(*CP*TP*CP*TP*TP*TP*VETP*TP*TP*TP*CP*TP*CP*G)-3', 5'-D(GP*CP*GP*AP*GP*AP*AP*AP*CP*AP*AP*AP*G*A)-3', FORMAMIDOPYRIMIDINE-DNA GLYCOSYLASE, ...
Authors:Lebihan, Y.V, Izquierdo, M.A, Coste, F, Culard, F, Gehrke, T.H, Essalhi, K, Aller, P, Carrel, T, Castaing, B.
Deposit date:2010-11-29
Release date:2011-10-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:5-Hydroxy-5-Methylhydantoin DNA Lesion, a Molecular Trap for DNA Glycosylases
Nucleic Acids Res., 39, 2011
4Z7I
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BU of 4z7i by Molmil
Crystal structure of insulin regulated aminopeptidase in complex with ligand
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DG025 transition-state analogue enzyme inhibitor, ...
Authors:Mpakali, A, Saridakis, E, Harlos, K, Zhao, Y, Stratikos, E.
Deposit date:2015-04-07
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Crystal Structure of Insulin-Regulated Aminopeptidase with Bound Substrate Analogue Provides Insight on Antigenic Epitope Precursor Recognition and Processing.
J Immunol., 195, 2015
5DWQ
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BU of 5dwq by Molmil
Crystal structure of CARM1, sinefungin, and methylated H3 peptide (R17)
Descriptor: GLYCEROL, Histone-arginine methyltransferase CARM1, SINEFUNGIN, ...
Authors:Boriack-Sjodin, P.A.
Deposit date:2015-09-22
Release date:2015-11-25
Last modified:2016-03-30
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural Insights into Ternary Complex Formation of Human CARM1 with Various Substrates.
Acs Chem.Biol., 11, 2016
4IBW
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BU of 4ibw by Molmil
Human p53 core domain with hot spot mutation R273H and second-site suppressor mutation T284R in sequence-specific complex with DNA
Descriptor: 1,2-ETHANEDIOL, Cellular tumor antigen p53, DNA (5'-D(*CP*GP*GP*GP*CP*AP*TP*GP*CP*CP*CP*G)-3'), ...
Authors:Eldar, A, Rozenberg, H, Diskin-Posner, Y, Shakked, Z.
Deposit date:2012-12-09
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Structural studies of p53 inactivation by DNA-contact mutations and its rescue by suppressor mutations via alternative protein-DNA interactions.
Nucleic Acids Res., 41, 2013
4IHC
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BU of 4ihc by Molmil
Crystal structure of probable mannonate dehydratase Dd703_0947 (target EFI-502222) from Dickeya dadantii Ech703
Descriptor: CHLORIDE ION, FORMIC ACID, GLYCEROL, ...
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N.F, Stead, M, Love, J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-12-18
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of mannonate dehydratase Dd703_0947 from Dickeya dadantii Ech703
To be Published
3FOI
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BU of 3foi by Molmil
Fitting of gp18M crystal structure into 3D cryo-EM reconstruction of bacteriophage T4 contracted tail
Descriptor: Tail sheath protein Gp18
Authors:Aksyuk, A.A, Leiman, P.G, Kurochkina, L.P, Shneider, M.M, Kostyuchenko, V.A, Mesyanzhinov, V.V, Rossmann, M.G.
Deposit date:2008-12-30
Release date:2009-03-10
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (16 Å)
Cite:The tail sheath structure of bacteriophage T4: a molecular machine for infecting bacteria.
Embo J., 28, 2009
2Y3X
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BU of 2y3x by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, complexed with sulfate
Descriptor: 2', 3'-CYCLIC-NUCLEOTIDE 3'-PHOSPHODIESTERASE, GLYCEROL, ...
Authors:Myllykoski, M, Kursula, P.
Deposit date:2011-01-04
Release date:2012-01-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Myelin 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase: Active-Site Ligand Binding and Molecular Conformation.
Plos One, 7, 2012

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数据于2024-09-25公开中

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