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4KZP
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Crystal Structure of a Putative Short Chain Dehydrogenase from Mycobacterium smegmatis
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Oxidoreductase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-05-30
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal Structure of a Putative Short Chain Dehydrogenase from Mycobacterium smegmatis
To be Published
4KZW
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BU of 4kzw by Molmil
Structure of the carbohydrate-recognition domain of the C-type lectin mincle
Descriptor: C-TYPE LECTIN MINCLE, CALCIUM ION, CITRATE ANION, ...
Authors:Feinberg, H, Jegouzo, S.A.F, Rowntree, T.J.W, Guan, Y, Brash, M.A, Taylor, M.E, Weis, W.I, Drickamer, K.
Deposit date:2013-05-30
Release date:2013-08-28
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mechanism for Recognition of an Unusual Mycobacterial Glycolipid by the Macrophage Receptor Mincle.
J.Biol.Chem., 288, 2013
4L1U
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BU of 4l1u by Molmil
Crystal Structure of Human Rtf1 Plus3 Domain in Complex with Spt5 CTR Phosphopeptide
Descriptor: GLYCEROL, RNA polymerase-associated protein RTF1 homolog, SULFATE ION, ...
Authors:Wier, A.D, Heroux, A, VanDemark, A.P.
Deposit date:2013-06-03
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.424 Å)
Cite:Structural basis for Spt5-mediated recruitment of the Paf1 complex to chromatin.
Proc.Natl.Acad.Sci.USA, 110, 2013
4L46
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BU of 4l46 by Molmil
Crystal structures of human p70S6K1-WT
Descriptor: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole, RPS6KB1 protein, SULFATE ION, ...
Authors:Wang, J, Zhong, C, Ding, J.
Deposit date:2013-06-07
Release date:2013-07-24
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif
Biochem.J., 454, 2013
4EKV
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Streptavidin 8-aa-loop H127C mutein with reversible biotin binding
Descriptor: BIOTIN, CHLORIDE ION, Streptavidin
Authors:Barrette-Ng, I.H, Honetschlaeger, C, Wong, S.L, Ng, K.K.S.
Deposit date:2012-04-09
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of a tetrameric streptavidin mutein with reversible biotin binding capability: engineering a mobile loop as an exit door for biotin.
Plos One, 7, 2012
4L5K
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Crystal structure of the complex of DNA hexamer d(CGATCG) with Coptisine
Descriptor: 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, DNA (5'-D(*CP*GP*AP*TP*CP*G)-3')
Authors:Ferraroni, M, Bazzicalupi, C, Gratteri, P.
Deposit date:2013-06-11
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal structure of the complex of DNA hexamer d(CGATCG) with Coptisine
to be published
4L8C
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Crystal structure of the H2Db in complex with the NP-N3D peptide
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
Authors:Rossjohn, J, Gras, S.
Deposit date:2013-06-16
Release date:2013-10-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Acute emergence and reversion of influenza A virus quasispecies within CD8(+) T cell antigenic peptides.
Nat Commun, 4, 2013
4L83
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Structure of a putative Ubiquitin-conjugating enzyme E2 from Brugia malayi
Descriptor: 1,2-ETHANEDIOL, Ube2i2 protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-06-15
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a putative Ubiquitin-conjugating enzyme E2 from Brugia malayi
TO BE PUBLISHED
4EG6
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BU of 4eg6 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1325
Descriptor: 4-{4-[(1H-benzimidazol-2-ylmethyl)amino]-6-(2-chloro-4-methoxyphenoxy)pyrimidin-2-yl}piperazin-2-one, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2012-03-30
Release date:2012-09-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection.
Structure, 20, 2012
4ES0
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BU of 4es0 by Molmil
X-ray structure of WDR5-SETd1b Win motif peptide binary complex
Descriptor: Histone-lysine N-methyltransferase SETD1B, WD repeat-containing protein 5
Authors:Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S.
Deposit date:2012-04-21
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.817 Å)
Cite:Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
4KV9
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BU of 4kv9 by Molmil
GTPase domain of Septin 10 from Schistosoma mansoni in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Septin
Authors:Zeraik, A.E, Pereira, H.M, Santos, Y.V, Brandao-Neto, J, Garratt, R.C, Araujo, A.P.U, Demarco, R.
Deposit date:2013-05-22
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structure of a Schistosoma mansoni Septin Reveals the Phenomenon of Strand Slippage in Septins Dependent on the Nature of the Bound Nucleotide.
J.Biol.Chem., 289, 2014
4EIT
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BU of 4eit by Molmil
Crystal structure of an enoyl-(acyl carrier protein) reductase from Bartonella henselae
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-04-05
Release date:2012-04-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of an enoyl-(acyl carrier protein) reductase from Bartonella henselae
To be Published
4E56
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BU of 4e56 by Molmil
Crystal Structure of spacer 8aa-shortened cephalosporin acylase mutant
Descriptor: CALCIUM ION, Cephalosporin acylase
Authors:Yin, J, Zhang, Z, Wu, G, Huang, X.
Deposit date:2012-03-14
Release date:2013-03-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:spacer shortened Cephalosporin acylase
To be Published
4KXM
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BU of 4kxm by Molmil
Crystal structure of DNPH1 (RCL) WITH N6-ISOPENTENYL-AMP
Descriptor: 2'-deoxynucleoside 5'-phosphate N-hydrolase 1, N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE
Authors:Padilla, A, Labesse, G, Kaminski, P.A.
Deposit date:2013-05-27
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:N (6)-substituted AMPs inhibit mammalian deoxynucleotide N-hydrolase DNPH1.
Plos One, 8, 2013
4KYX
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BU of 4kyx by Molmil
Crystal structure of ADP-ribose pyrophosphatase MutT from Rickettsia felis
Descriptor: ADP-ribose pyrophosphatase MutT
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-05-29
Release date:2013-08-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of ADP-ribose pyrophosphatase MutT from Rickettsia felis
To be Published
4L0F
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BU of 4l0f by Molmil
Structure of P450sky (CYP163B3), a cytochrome P450 from skyllamycin biosynthesis (open active site)
Descriptor: 1,2-ETHANEDIOL, P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Cryle, M.J.
Deposit date:2013-05-31
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cytochrome p450sky interacts directly with the nonribosomal Peptide synthetase to generate three amino Acid precursors in skyllamycin biosynthesis.
Acs Chem.Biol., 8, 2013
4L23
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BU of 4l23 by Molmil
Crystal Structure of p110alpha complexed with niSH2 of p85alpha and PI-103
Descriptor: 3-(4-MORPHOLIN-4-YLPYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDIN-2-YL)PHENOL, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F.
Deposit date:2013-06-04
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
4E6B
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BU of 4e6b by Molmil
Crystal Structure of statistically disordered 19mer duplex p(CGG)3C(CUG)3
Descriptor: 5'-R(P*CP*GP*GP*CP*GP*GP*CP*GP*GP*CP*CP*UP*GP*CP*UP*GP*CP*UP*G)-3'
Authors:Malinina, L, Popov, A, Tamjar, J.
Deposit date:2012-03-15
Release date:2012-07-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural dynamics of double-helical RNAs composed of CUG/CUG- and CUG/CGG-repeats.
J.Biomol.Struct.Dyn., 30, 2012
4E6I
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BU of 4e6i by Molmil
Crystal structure of Staphylococcal nuclease variant NVIAGA V99G at cryogenic temperature
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, Thermonuclease
Authors:Doctrow, B.M, Schlessman, J.L, Garcia-Moreno E, B.
Deposit date:2012-03-15
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Local flexibility as a determinant of pKa values of surface ionizable groups in proteins
To be Published
4E71
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BU of 4e71 by Molmil
Crystal structure of the RHO GTPASE binding domain of Plexin B2
Descriptor: Plexin-B2, SODIUM ION
Authors:Guan, X, Wang, H, Tempel, W, Tong, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2012-03-16
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of the RHO GTPASE binding domain of Plexin B2
to be published
4LAH
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BU of 4lah by Molmil
Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines
Descriptor: 7-[5,6-dimethyl-2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hilgers, M.T.
Deposit date:2013-06-19
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines.
J.Med.Chem., 57, 2014
4E74
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BU of 4e74 by Molmil
Crystal structure of the RHO GTPASE BINDING DOMAIN of Plexin A4A
Descriptor: Plexin-A4, UNKNOWN ATOM OR ION
Authors:Guan, X, Wang, H, Tempel, W, Dong, A, Tong, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2012-03-16
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of the RHO GTPASE BINDING DOMAIN of Plexin A4A
to be published
4E7A
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BU of 4e7a by Molmil
Crystal structure of a product state assembly of HCV NS5B genotype 2a JFH-1 isolate with beta hairpin deletion bound to primer-template RNA with a 2',3'-ddC
Descriptor: 5'-R(*CP*AP*UP*GP*GP*C)-D(P*(DOC))-3', RNA-directed RNA polymerase
Authors:Edwards, T.E, Mosley, R.T.
Deposit date:2012-03-16
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of hepatitis C virus polymerase in complex with primer-template RNA.
J.Virol., 86, 2012
4LBJ
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BU of 4lbj by Molmil
Crystal structure of Human galectin-3 CRD K176L mutant in complex with LNT
Descriptor: CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Bum-Erdene, K, Blanchard, H.
Deposit date:2013-06-20
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Galectin-3 interactions with glycosphingolipids.
J.Mol.Biol., 426, 2014
4E96
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Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1
Descriptor: 1,2-ETHANEDIOL, 2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Fish, P, Bunnage, M, Owen, D, Knapp, S, Cook, A, Structural Genomics Consortium (SGC)
Deposit date:2012-03-20
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit.
J.Med.Chem., 55, 2012

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數據於2024-07-10公開中

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