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PDB: 5677 件
3SA2
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Bacuills anthracis Dihydrofolate Reductase bound propargyl-linked TMP analog, UCP1014
分子名称: 6-ethyl-5-[3-(5-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Anderson, A.C, Beierlein, J.M.
登録日2011-06-02
公開日2012-06-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献SAR studies of heterocyclic propargyl-linked TMP analogs to Bacillus dihydrofolate reductase
to be published
4F08
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BU of 4f08 by Molmil
Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
分子名称: 1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
著者Murray, J.M.
登録日2012-05-03
公開日2012-07-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.
J.Med.Chem., 55, 2012
3L28
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BU of 3l28 by Molmil
Crystal structure of Zaire Ebola VP35 interferon inhibitory domain K339A mutant
分子名称: CHLORIDE ION, Polymerase cofactor VP35, SODIUM ION, ...
著者Leung, D.W, Prins, K.C, Borek, D.M, Farahbakhsh, M, Tufariello, J.M, Ramanan, P, Nix, J.C, Helgeson, L.A, Otwinowski, Z, Honzatko, R.B, Basler, C.F, Amarasinghe, G.K.
登録日2009-12-14
公開日2010-01-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for dsRNA recognition and interferon antagonism by Ebola VP35.
Nat.Struct.Mol.Biol., 17, 2010
3SN4
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BU of 3sn4 by Molmil
Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and alpha-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Bonanno, J.B, Patskovsky, Y, Toro, R, Dickey, M, Bain, K.T, Wu, B, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2011-06-28
公開日2011-07-27
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structure of putative L-alanine-DL-glutamate epimerase from Burkholderia xenovorans strain LB400 bound to magnesium and alpha-ketoglutarate
To be Published
6OQO
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BU of 6oqo by Molmil
CDK6 in complex with Cpd24 N-(5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)pyrimidin-2-amine
分子名称: Cyclin-dependent kinase 6, N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
著者Murray, J.M, Boenig, G.D.L.
登録日2019-04-26
公開日2020-07-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.977 Å)
主引用文献Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
4HV3
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BU of 4hv3 by Molmil
Structure of Ricin A chain bound with N-(N-(pterin-7-yl)carbonyl-L-serinyl)-L-tryptophan
分子名称: (2S)-2-[[(2S)-2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid, MALONIC ACID, Ricin, ...
著者Robertus, J.D, Manzano, L.A, Jasheway, K.R, Monzingo, A.F, Saito, R, Pruet, J.M, Wiget, P.A, Anslyn, E.V.
登録日2012-11-05
公開日2012-12-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Peptide-conjugated pterins as inhibitors of ricin toxin A.
J.Med.Chem., 56, 2013
6XJP
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BU of 6xjp by Molmil
Crystal Structure of KPT-185 bound to CRM1 (537-DLTVK-541 to GLCEQ)
分子名称: Exportin-1, GTP-binding nuclear protein Ran, MAGNESIUM ION, ...
著者Baumhardt, J.M, Chook, Y.M.
登録日2020-06-24
公開日2021-01-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021
4F0R
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BU of 4f0r by Molmil
Crystal structure of an adenosine deaminase homolog from Chromobacterium violaceum (target NYSGRC-019589) bound Zn and 5'-Methylthioadenosine (unproductive complex)
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-methylthioadenosine/S-adenosylhomocysteine deaminase, GLYCEROL, ...
著者Kim, J, Vetting, M.W, Sauder, J.M, Burley, S.K, Raushel, F.M, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-05-04
公開日2012-06-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of an adenosine deaminase homolog from Chromobacterium violaceum (target NYSGRC-019589) bound Zn and 5'-Methylthioadenosine (unproductive complex)
To be Published
6XJS
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BU of 6xjs by Molmil
Crystal Structure of KPT-330 bound to CRM1 (E582K, 537-DLTVK-541 to GLCEQ)
分子名称: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
著者Baumhardt, J.M, Chook, Y.M.
登録日2020-06-24
公開日2021-01-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.942 Å)
主引用文献Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021
4ID3
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BU of 4id3 by Molmil
Crystal Structure of the BRCT domain of S. Cerevisiae Rev1
分子名称: DNA repair protein REV1
著者Pryor, J.M, Gakhar, L, Washington, M.T.
登録日2012-12-11
公開日2013-01-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9669 Å)
主引用文献Structure and Functional Analysis of the BRCT Domain of Translesion Synthesis DNA Polymerase Rev1.
Biochemistry, 52, 2013
2ALX
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BU of 2alx by Molmil
Ribonucleotide Reductase R2 from Escherichia coli in space group P6(1)22
分子名称: MANGANESE (II) ION, MERCURY (II) ION, Ribonucleoside-diphosphate reductase 1
著者Sommerhalter, M, Saleh, L, Bollinger Jr, J.M, Rosenzweig, A.C.
登録日2005-08-08
公開日2005-11-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of Escherichia coli ribonucleotide reductase R2 in space group P6122.
Acta Crystallogr.,Sect.D, 61, 2005
3L27
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BU of 3l27 by Molmil
Crystal structure of Zaire Ebola VP35 interferon inhibitory domain R312A mutant
分子名称: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
著者Leung, D.W, Prins, K.C, Borek, D.M, Farahbakhsh, M, Tufariello, J.M, Ramanan, P, Nix, J.C, Helgeson, L.A, Otwinowski, Z, Honzatko, R.B, Basler, C.F, Amarasinghe, G.K.
登録日2009-12-14
公開日2010-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for dsRNA recognition and interferon antagonism by Ebola VP35.
Nat.Struct.Mol.Biol., 17, 2010
4IBP
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BU of 4ibp by Molmil
Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens Pf-5, target EFI-900011, with bound glutathione
分子名称: GLUTATHIONE, Glutathione S-transferase-like protein YibF, SULFATE ION
著者Vetting, M.W, Sauder, J.M, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Burley, S.K, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-12-09
公開日2012-12-26
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a glutathione transferase family member from Pseudomonas fluorescens Pf-5, target IFI-900011, with bound glutathione
To be Published
3L26
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BU of 3l26 by Molmil
Crystal structure of Zaire Ebola VP35 interferon inhibitory domain bound to 8 bp dsRNA
分子名称: CHLORIDE ION, MAGNESIUM ION, Polymerase cofactor VP35, ...
著者Leung, D.W, Prins, K.C, Borek, D.M, Farahbakhsh, M, Tufariello, J.M, Ramanan, P, Nix, J.C, Helgeson, L.A, Otwinowski, Z, Honzatko, R.B, Basler, C.F, Amarasinghe, G.K.
登録日2009-12-14
公開日2010-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for dsRNA recognition and interferon antagonism by Ebola VP35.
Nat.Struct.Mol.Biol., 17, 2010
1HHS
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BU of 1hhs by Molmil
RNA dependent RNA polymerase from dsRNA bacteriophage phi6
分子名称: MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Grimes, J.M, Butcher, S.J, Makeyev, E.V, Bamford, D.H, Stuart, D.I.
登録日2000-12-28
公開日2001-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Mechanism for Initiating RNA-Dependent RNA Polymerization
Nature, 410, 2001
4IHK
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BU of 4ihk by Molmil
Crystal structure of the Collagen VI alpha3 N5 domain R1061Q
分子名称: Collagen alpha3(VI)
著者Mikolajek, H, Becker, A.K.A, Paulsson, M, Wagener, R, Werner, J.M.
登録日2012-12-19
公開日2013-12-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A structure of a collagen VI VWA domain displays N and C termini at opposite sides of the protein
Structure, 22, 2014
4EZ1
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BU of 4ez1 by Molmil
Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in complex with alpha-conotoxin BuIA
分子名称: Alpha-conotoxin BuIA, MANGANESE (II) ION, Soluble acetylcholine receptor
著者Talley, T.T, Reger, A.S, Kim, C, Sankaran, B, Ho, K, Taylor, P, McIntosh, J.M.
登録日2012-05-02
公開日2013-05-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Pairwise interaction of alpha-conotoxin BuIA Pro6 with the beta subunit of nicotinic acetylcholine receptor
To be Published
4F09
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BU of 4f09 by Molmil
Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
分子名称: 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
著者Murray, J.M.
登録日2012-05-03
公開日2012-07-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.
J.Med.Chem., 55, 2012
4F0S
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BU of 4f0s by Molmil
Crystal structure of an adenosine deaminase homolog from Chromobacterium violaceum (target NYSGRC-019589) with bound inosine.
分子名称: 5-methylthioadenosine/S-adenosylhomocysteine deaminase, CHLORIDE ION, INOSINE, ...
著者Kim, J, Vetting, M.W, Sauder, J.M, Burley, S.K, Raushel, F.M, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-05-04
公開日2012-06-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Crystal structure of an adenosine deaminase homolog from Chromobacterium violaceum (target NYSGRC-019589) with bound inosine.
To be Published
4F37
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BU of 4f37 by Molmil
Structure of the tethered N-terminus of Alzheimer's disease A peptide
分子名称: Colicin-E7 immunity protein, Fab WO2 anti-amyloid-beta antibody Fab fragment, Im7 immunity protein
著者Nisbet, R.M, Nuttall, S.D, Caine, J.M, Rober, R, Hittaki, M, Pearce, L.A, Davydova, N, Masters, C.L, Varghese, J.N, Streltsov, V.A.
登録日2012-05-09
公開日2013-05-15
最終更新日2014-09-03
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Structural studies of the tethered N-terminus of the Alzheimer's disease amyloid-beta peptide.
Proteins, 81, 2013
1MEY
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BU of 1mey by Molmil
CRYSTAL STRUCTURE OF A DESIGNED ZINC FINGER PROTEIN BOUND TO DNA
分子名称: CHLORIDE ION, CONSENSUS ZINC FINGER, DNA (5'-D(*AP*TP*GP*AP*GP*GP*CP*AP*GP*AP*AP*CP*T)-3'), ...
著者Kim, C.A, Berg, J.M.
登録日1996-09-27
公開日1997-03-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A 2.2 A Resolution Crystal Structure of a Designed Zinc Finger Protein Bound to DNA
Nat.Struct.Biol., 3, 1996
3STD
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BU of 3std by Molmil
SCYTALONE DEHYDRATASE AND CYANOCINNOLINE INHIBITOR
分子名称: 4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile, CALCIUM ION, PROTEIN (SCYTALONE DEHYDRATASE)
著者Chen, J.M, Xu, S.L, Wawrzak, Z, Basarab, G.S, Jordan, D.B.
登録日1998-10-16
公開日1999-10-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-based design of potent inhibitors of scytalone dehydratase: displacement of a water molecule from the active site.
Biochemistry, 37, 1998
1HIX
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BU of 1hix by Molmil
CRYSTALLOGRAPHIC ANALYSES OF FAMILY 11 ENDO-BETA-1,4-XYLANASE XYL1 FROM STREPTOMYCES SP. S38
分子名称: ENDO-1,4-BETA-XYLANASE
著者Wouters, J, Georis, J, Dusart, J, Frere, J.M, Depiereux, E, Charlier, P.
登録日2001-01-05
公開日2001-11-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic Analysis of Family 11 Endo-[Beta]-1,4-Xylanase Xyl1 from Streptomyces Sp. S38
Acta Crystallogr.,Sect.D, 57, 2001
4FR4
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BU of 4fr4 by Molmil
Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
分子名称: 1,2-ETHANEDIOL, STAUROSPORINE, Serine/threonine-protein kinase 32A
著者Chaikuad, A, Elkins, J.M, Krojer, T, Mahajan, P, Goubin, S, Szklarz, M, Tumber, A, Wang, J, Savitsky, P, Shrestha, B, Daga, N, Picaud, S, Fedorov, O, Allerston, C.K, Latwiel, S.V.A, Vollmar, M, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2012-06-26
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
To be Published
4FC3
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Crystal Structure of Human Methaemoglobin Complexed with the Second NEAT Domain of IsdH from Staphylococcus aureus
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated surface determinant protein H, ...
著者Krishna Kumar, K, Jacques, D.A, Guss, J.M, Gell, D.A.
登録日2012-05-24
公開日2013-05-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structure of the Hemoglobin-IsdH Complex Reveals the Molecular Basis of Iron Capture by Staphylococcus aureus
J.Biol.Chem., 289, 2014

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件を2024-11-06に公開中

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