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4NB1
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BU of 4nb1 by Molmil
Crystal Structure of FosB from Staphylococcus aureus at 1.80 Angstrom Resolution with L-Cysteine-Cys9 Disulfide
分子名称: CYSTEINE, Metallothiol transferase FosB, SULFATE ION
著者Cook, P.D, Thompson, M.K, Goodman, M.C, Jagessar, K, Harp, J, Keithly, M.E, Armstrong, R.N.
登録日2013-10-22
公開日2014-02-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and Function of the Genomically Encoded Fosfomycin Resistance Enzyme, FosB, from Staphylococcus aureus.
Biochemistry, 53, 2014
4N6G
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BU of 4n6g by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
分子名称: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
著者Murray, J.M, Steffek, M.
登録日2013-10-11
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.142 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4N6W
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BU of 4n6w by Molmil
X-Ray Crystal Structure of Citrate-bound PhnZ
分子名称: CITRATE ANION, FE (III) ION, Predicted HD phosphohydrolase PhnZ
著者Worsdorfer, B, Lingaraju, M, Yennawar, N.H, Boal, A.K, Krebs, C, Bollinger Jr, J.M, Pandelia, M.E.
登録日2013-10-14
公開日2013-11-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Organophosphonate-degrading PhnZ reveals an emerging family of HD domain mixed-valent diiron oxygenases.
Proc.Natl.Acad.Sci.USA, 110, 2013
4N77
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BU of 4n77 by Molmil
Crystal structure of Cas protein
分子名称: Uncharacterized protein
著者Tian, W, Sheng, G, Zhao, H, Wang, J, Wang, Y.
登録日2013-10-15
公開日2014-10-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Crystal strucute studies of CasD
To be Published
4MJI
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BU of 4mji by Molmil
T cell response to a HIV reverse transcriptase epitope presented by the protective allele HLA-B*51:01
分子名称: Beta-2-microglobulin, HIV Reverse Transcriptase peptide Marker, HLA class I histocompatibility antigen, ...
著者Rizkallah, P.J, Cole, D.K, Sewell, A.K, Motozono, C, Takiguchi, M.
登録日2013-09-03
公開日2014-05-28
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Molecular basis of a dominant T cell response to an HIV reverse transcriptase 8-mer epitope presented by the protective allele HLA-B*51:01
J.Immunol., 192, 2014
4N84
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Crystal structure of 14-3-3zeta in complex with a 12-carbon-linker cyclic peptide derived from ExoS
分子名称: 14-3-3 protein zeta/delta, Exoenzyme S
著者Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C.
登録日2013-10-17
公開日2014-02-19
最終更新日2014-03-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NAM
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BU of 4nam by Molmil
1.7A structure of 5-Fluoro Tryptophan Labeled Protective Antigen (W206Y)
分子名称: CALCIUM ION, Protective antigen
著者Lovell, S, Battaile, K.P, Chadegani, F, Mulangi, V, Miyagi, M, Bann, J.G.
登録日2013-10-22
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献(19)F nuclear magnetic resonance and crystallographic studies of 5-fluorotryptophan-labeled anthrax protective antigen and effects of the receptor on stability.
Biochemistry, 53, 2014
4NBK
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BU of 4nbk by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
分子名称: 2-{[(3-methylpyridin-2-yl)amino]methyl}phenol, Caspase-6, PHOSPHATE ION
著者Murray, J.M, Steffek, M.
登録日2013-10-23
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.936 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4MLJ
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dihydrodipicolinate synthase from C. jejuni, Y110F mutation with pyruvate bound to the active site
分子名称: 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ...
著者Conly, C.J.T.
登録日2013-09-06
公開日2015-01-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tyrosine 110 Plays a Critical Role in Regulating the Allosteric Inhibition of Campylobacter jejuni Dihydrodipicolinate Synthase by Lysine.
Biochemistry, 53, 2014
4MR4
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BU of 4mr4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-208)
分子名称: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-09-17
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
4N3G
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BU of 4n3g by Molmil
Crystal structure of eukaryotic translation initiation factor eIF5B (870-1116) from Chaetomium thermophilum, domains III and IV
分子名称: CHLORIDE ION, Eukaryotic translation initiation factor 5B-like protein, eIF5B(870-C), ...
著者Kuhle, B, Ficner, R.
登録日2013-10-07
公開日2014-07-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.203 Å)
主引用文献eIF5B employs a novel domain release mechanism to catalyze ribosomal subunit joining.
Embo J., 33, 2014
4N61
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BU of 4n61 by Molmil
Crystal structure of hemagglutinin from an H7N9 influenza virus in complex with LSTa, extended soaking
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
著者Xu, R, Wilson, I.A.
登録日2013-10-11
公開日2013-12-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6023 Å)
主引用文献Preferential recognition of avian-like receptors in human influenza A H7N9 viruses.
Science, 342, 2013
4N7P
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BU of 4n7p by Molmil
Capturing the haemoglobin allosteric transition in a single crystal form; Crystal structure of half-liganded human haemoglobin without phosphate at 2.8 A resolution.
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sugiyama, K, Shibayama, N, Park, S.Y.
登録日2013-10-16
公開日2014-04-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.809 Å)
主引用文献Capturing the hemoglobin allosteric transition in a single crystal form
J.Am.Chem.Soc., 136, 2014
4N9L
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BU of 4n9l by Molmil
crystal structure of beta-lactamse PenP_E166S in complex with meropenem
分子名称: (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase
著者Pan, X, Wong, W, Zhao, Y.
登録日2013-10-21
公開日2014-09-10
最終更新日2022-02-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Perturbing the General Base Residue Glu166 in the Active Site of Class A beta-Lactamase Leads to Enhanced Carbapenem Binding and Acylation
Biochemistry, 53, 2014
4NAY
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BU of 4nay by Molmil
Crystal Structure of FosB from Staphylococcus aureus with Zn and Sulfate at 1.42 Angstrom Resolution - SAD Phasing
分子名称: Metallothiol transferase FosB, SULFATE ION, ZINC ION
著者Thompson, M.K, Goodman, M.C, Jagessar, K, Harp, J, Keithly, M.E, Cook, P.D, Armstrong, R.N.
登録日2013-10-22
公開日2014-02-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structure and Function of the Genomically Encoded Fosfomycin Resistance Enzyme, FosB, from Staphylococcus aureus.
Biochemistry, 53, 2014
4NB2
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Crystal Structure of FosB from Staphylococcus aureus at 1.89 Angstrom Resolution - Apo structure
分子名称: Metallothiol transferase FosB, SULFATE ION
著者Cook, P.D, Thompson, M.K, Goodman, M.C, Jagessar, K, Harp, J, Keithly, M.E, Armstrong, R.N.
登録日2013-10-22
公開日2014-02-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure and Function of the Genomically Encoded Fosfomycin Resistance Enzyme, FosB, from Staphylococcus aureus.
Biochemistry, 53, 2014
4NBR
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BU of 4nbr by Molmil
Crystal Structure of 3-oxoacyl-[acyl-carrier protein] reductase from Brucella melitensis ATCC 23457
分子名称: GLYCEROL, Hypothetical 3-oxoacyl-(Acyl-carrier protein) reductase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-10-23
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal Structure of 3-oxoacyl-[acyl-carrier protein] reductase from Brucella melitensis ATCC 23457
TO BE PUBLISHED
4MRG
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BU of 4mrg by Molmil
Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
分子名称: 1,2,3,4-tetrahydroisoquinolin-5-amine, CD44 antigen, DIMETHYL SULFOXIDE, ...
著者Liu, L.K, Finzel, B.
登録日2013-09-17
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors.
J.Med.Chem., 57, 2014
4MSO
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BU of 4mso by Molmil
X-ray crystal structure of a serine hydroxymethyl transferase in apo form from Burkholderia cenocepacia
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, Serine hydroxymethyltransferase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-09-18
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-ray crystal structure of a serine hydroxymethyl transferase in apo form from Burkholderia cenocepacia
To be Published
4MTL
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BU of 4mtl by Molmil
Human Methyltransferase-Like Protein 21C
分子名称: Protein-lysine methyltransferase METTL21C, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION
著者Hong, B.S, Tempel, W, Dong, A, Li, Y, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2013-09-19
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Human Methyltransferase-Like Protein 21C
To be Published
4K4Q
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BU of 4k4q by Molmil
TL-3 inhibited Trp6Ala HIV Protease with 3-bromo-2,6-dimethoxybenzoic acid bound in flap site
分子名称: 3-bromo-2,6-dimethoxybenzoic acid, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
著者Tiefenbrunn, T, Stout, C.D.
登録日2013-04-12
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease.
Chem.Biol.Drug Des., 83, 2014
4K6C
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X-ray crystal structure of a putative Acetoacyl-CoA reductase from Burkholderia cenocepacia
分子名称: 1,2-ETHANEDIOL, Acetoacetyl-CoA reductase, CHLORIDE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-04-15
公開日2013-05-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献X-ray crystal structure of a putative Acetoacyl-CoA reductase from Burkholderia cenocepacia
TO BE PUBLISHED
4KB7
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HCV NS5B GT1B N316Y with CMPD 32
分子名称: 5-cyclopropyl-2-(4-fluorophenyl)-6-[{2-[(3R)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl]ethyl}(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, HCV Polymerase
著者Williams, S.P, Kahler, K.M, Shotwell, J.B.
登録日2013-04-23
公開日2013-05-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4EB4
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Crystal structure of mouse thymidylate synthase in ternary complex with dUMP and Tomudex
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Dowiercial, A, Jarmula, A, Rypniewski, W.R, Wilk, P, Rode, W.
登録日2012-03-23
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of mouse thymidylate synthase in tertiary complex with dUMP and raltitrexed reveals N-terminus architecture and two different active site conformations.
Biomed Res Int, 2014, 2014
4K20
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Crystal structure of Canavalia boliviana lectin
分子名称: CALCIUM ION, Canavalia boliviana lectin, MANGANESE (II) ION
著者Viertlmayr, R, Bezerra, G.A, Moura, T.R, Delatorre, P, Rocha, B.A.M, Cavada, B.S, Gruber, K.
登録日2013-04-07
公開日2014-04-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural Studies of an Anti-Inflammatory Lectin from Canavalia boliviana Seeds in Complex with Dimannosides.
Plos One, 9, 2014

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件を2024-07-10に公開中

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