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4QJW
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BU of 4qjw by Molmil
Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor
Descriptor: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-06-05
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
4QKA
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BU of 4qka by Molmil
c-di-AMP riboswitch from Thermoanaerobacter pseudethanolicus, iridium hexamine soak
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, C-di-AMP riboswitch, IRIDIUM HEXAMMINE ION, ...
Authors:Gao, A, Serganov, A.
Deposit date:2014-06-05
Release date:2014-08-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into recognition of c-di-AMP by the ydaO riboswitch.
Nat.Chem.Biol., 10, 2014
4QIY
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BU of 4qiy by Molmil
Crystal structure of human carbonic anhydrase isozyme II with inhibitor
Descriptor: 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Manakova, E, Smirnov, A, Grazulis, S.
Deposit date:2014-06-03
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
4QJR
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BU of 4qjr by Molmil
Crystal structure of human nuclear receptor sf-1 (nr5a1) bound to its hormone pip3 at 2.4 a resolution
Descriptor: (2S)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dihexadecanoate, ACETATE ION, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
Authors:Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
Deposit date:2014-06-04
Release date:2014-07-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The signaling phospholipid PIP3 creates a new interaction surface on the nuclear receptor SF-1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QP6
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BU of 4qp6 by Molmil
Crystal Structure of ERK2 in complex with 5H-pyrrolo[2,3-b]pyrazine
Descriptor: 5H-pyrrolo[2,3-b]pyrazine, IMIDAZOLE, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QUV
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BU of 4quv by Molmil
Structure of an integral membrane delta(14)-sterol reductase
Descriptor: Delta(14)-sterol reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, X, Blobel, G.
Deposit date:2014-07-12
Release date:2014-10-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.743 Å)
Cite:Structure of an integral membrane sterol reductase from Methylomicrobium alcaliphilum.
Nature, 517, 2015
4R1K
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BU of 4r1k by Molmil
Crystal structure of a NTF2-like protein (EUBSIR_01394) from Eubacterium siraeum DSM 15702 at 2.56 A resolution
Descriptor: Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-08-06
Release date:2014-10-01
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Crystal structure of a hypothetical protein (EUBSIR_01394) from Eubacterium siraeum DSM 15702 at 2.56 A resolution
To be published
4R93
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BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-1-methyl-5-oxo-4-(((1S,3R)-3-(3-phenylureido)cyclohexyl)methyl)imidazolidin-2-iminium
Descriptor: 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Orth, P, Strickland, C, Caldwell, J.P.
Deposit date:2014-09-03
Release date:2014-11-05
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4R5O
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BU of 4r5o by Molmil
Crystal structure of a Quinonprotein alcohol dehydrogenase-like protein (BT1487) from Bacteroides thetaiotaomicron VPI-5482 at 2.64 A resolution
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ACETATE ION, CALCIUM ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-08-21
Release date:2014-09-10
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Crystal structure of a Quinonprotein alcohol dehydrogenase-like protein (BT1487) from Bacteroides thetaiotaomicron VPI-5482 at 2.64 A resolution
To be published
4RAA
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BU of 4raa by Molmil
Crystal structure of a Putative exported protein (BF0058) from Bacteroides fragilis NCTC 9343 at 2.60 A resolution
Descriptor: PHOSPHATE ION, Putative exported protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-09-09
Release date:2014-10-15
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a Putative exported protein (BF0058) from Bacteroides fragilis NCTC 9343 at 2.60 A resolution
To be published
4RBO
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BU of 4rbo by Molmil
Crystal structure of a Nanog homeobox (NANOG) from Homo sapiens at 3.30 A resolution
Descriptor: 5'-D(*CP*TP*TP*GP*AP*AP*TP*GP*GP*GP*CP*C)-3', 5'-D(*GP*GP*CP*CP*CP*AP*TP*TP*CP*AP*AP*G)-3', Putative homeobox protein NANOGP8
Authors:Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
Deposit date:2014-09-12
Release date:2014-10-01
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure-based discovery of NANOG variant with enhanced properties to promote self-renewal and reprogramming of pluripotent stem cells.
Proc.Natl.Acad.Sci.USA, 112, 2015
4QU6
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BU of 4qu6 by Molmil
Crystal structure of a G-rich RNA sequence binding factor 1 (GRSF1) from Homo sapiens at 1.75 A resolution
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
Deposit date:2014-07-10
Release date:2014-08-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a G-rich RNA sequence binding factor 1 (GRSF1) from Homo sapiens at 1.75 A resolution
To be published
4P6I
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BU of 4p6i by Molmil
Crystal structure of the Cas1-Cas2 complex from Escherichia coli
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2
Authors:Nunez, J.K, Kranzusch, P.J, Noeske, J, Doudna, J.A.
Deposit date:2014-03-24
Release date:2014-05-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cas1-Cas2 complex formation mediates spacer acquisition during CRISPR-Cas adaptive immunity.
Nat.Struct.Mol.Biol., 21, 2014
3S6X
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BU of 3s6x by Molmil
Structure of reovirus attachment protein sigma1 in complex with alpha-2,3-sialyllactose
Descriptor: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Outer capsid protein sigma-1
Authors:Reiter, D.M, Dermody, T.S, Stehle, T.
Deposit date:2011-05-26
Release date:2011-11-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of reovirus attachment protein sigma1 in complex with sialylated oligosaccharides
Plos Pathog., 7, 2011
4P4I
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BU of 4p4i by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor T33
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Barinka, C.
Deposit date:2014-03-12
Release date:2015-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
4P44
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BU of 4p44 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor JRB-4-81
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Novakova, Z, Barinka, C.
Deposit date:2014-03-11
Release date:2015-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
4PHX
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BU of 4phx by Molmil
Crystal structure of AggB, the minor subunit of aggregative adherence fimbriae type I from the Escherichia coli O4H104
Descriptor: Protein AggB
Authors:Pakharukova, N.A, Tuitilla, M, Zavialov, A.V.
Deposit date:2014-05-07
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insight into Host Recognition by Aggregative Adherence Fimbriae of Enteroaggregative Escherichia coli.
Plos Pathog., 10, 2014
4POI
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BU of 4poi by Molmil
Crystal structure of a putative periplasmic protein (BACCAC_02096) from Bacteroides caccae ATCC 43185 at 2.30 A resolution
Descriptor: Putative periplasmic protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-02-25
Release date:2014-03-12
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a putative periplasmic protein (BACCAC_02096) from Bacteroides caccae ATCC 43185 at 2.30 A resolution
To be published
4P45
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BU of 4p45 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor JRB-4-73
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Novakova, Z, Barinka, C.
Deposit date:2014-03-11
Release date:2015-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
4P3F
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BU of 4p3f by Molmil
Structure of the human SRP68-RBD
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Signal recognition particle subunit SRP68
Authors:Grotwinkel, J.T, Wild, K, Sinning, I.
Deposit date:2014-03-07
Release date:2014-04-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:SRP RNA remodeling by SRP68 explains its role in protein translocation.
Science, 344, 2014
4P2G
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BU of 4p2g by Molmil
Crystal structure of DJ-1 in sulfinic acid form (aged crystal)
Descriptor: 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, Protein DJ-1
Authors:Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2014-03-04
Release date:2014-04-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
4P4E
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BU of 4p4e by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor MP1D
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barinka, C.
Deposit date:2014-03-12
Release date:2015-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Febs J., 283, 2016
3SUN
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BU of 3sun by Molmil
RB69 DNA Polymerase (Y567A) Ternary Complex with dTTP Opposite 2AP (AT rich sequence)
Descriptor: 5'-D(*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*(2DA))-3', 5'-D(P*CP*(2PR)P*TP*AP*AP*TP*TP*AP*AP*TP*TP*AP*AP*TP*TP*G)-3', CALCIUM ION, ...
Authors:Xia, S, Konigsberg, W.H, Wang, J.
Deposit date:2011-07-11
Release date:2011-11-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structure of the 2-Aminopurine-Cytosine Base Pair Formed in the Polymerase Active Site of the RB69 Y567A-DNA Polymerase.
Biochemistry, 50, 2011
4RGL
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BU of 4rgl by Molmil
Crystal structure of a Fic family protein (Dde_2494) from Desulfovibrio desulfuricans G20 at 2.70 A resolution
Descriptor: Filamentation induced by cAMP protein Fic, UNKNOWN LIGAND
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2014-09-30
Release date:2014-10-29
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of a Fic family protein (Dde_2494) from Desulfovibrio desulfuricans G20 at 2.70 A resolution
To be published
4RGW
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Crystal Structure of a TAF1-TAF7 Complex in Human Transcription Factor IID
Descriptor: GLYCEROL, Transcription initiation factor TFIID subunit 1, Transcription initiation factor TFIID subunit 7
Authors:Wang, H, Curran, E.C, Hinds, T.R, Wang, E.H, Zheng, N.
Deposit date:2014-09-30
Release date:2014-12-03
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Crystal structure of a TAF1-TAF7 complex in human transcription factor IID reveals a promoter binding module.
Cell Res., 24, 2014

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數據於2024-08-21公開中

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