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PDB: 5677 results

3SA2
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Bacuills anthracis Dihydrofolate Reductase bound propargyl-linked TMP analog, UCP1014
Descriptor: 6-ethyl-5-[3-(5-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M.
Deposit date:2011-06-02
Release date:2012-06-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:SAR studies of heterocyclic propargyl-linked TMP analogs to Bacillus dihydrofolate reductase
to be published
4F08
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Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
Descriptor: 1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
Authors:Murray, J.M.
Deposit date:2012-05-03
Release date:2012-07-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.82 Å)
Cite: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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Crystal structure of Zaire Ebola VP35 interferon inhibitory domain K339A mutant
Descriptor: CHLORIDE ION, Polymerase cofactor VP35, SODIUM ION, ...
Authors: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.
Deposit date:2009-12-14
Release date:2010-01-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 2-OXOGLUTARIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors: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)
Deposit date:2011-06-28
Release date:2011-07-27
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite: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
Descriptor: 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
Authors:Murray, J.M, Boenig, G.D.L.
Deposit date:2019-04-26
Release date:2020-07-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.977 Å)
Cite:Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
6XJP
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BU of 6xjp by Molmil
Crystal Structure of KPT-185 bound to CRM1 (537-DLTVK-541 to GLCEQ)
Descriptor: Exportin-1, GTP-binding nuclear protein Ran, MAGNESIUM ION, ...
Authors:Baumhardt, J.M, Chook, Y.M.
Deposit date:2020-06-24
Release date:2021-01-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Recurrent XPO1 mutations alter pathogenesis of chronic lymphocytic leukemia.
J Hematol Oncol, 14, 2021
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
Descriptor: (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, ...
Authors:Robertus, J.D, Manzano, L.A, Jasheway, K.R, Monzingo, A.F, Saito, R, Pruet, J.M, Wiget, P.A, Anslyn, E.V.
Deposit date:2012-11-05
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Peptide-conjugated pterins as inhibitors of ricin toxin A.
J.Med.Chem., 56, 2013
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)
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-methylthioadenosine/S-adenosylhomocysteine deaminase, GLYCEROL, ...
Authors: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)
Deposit date:2012-05-04
Release date:2012-06-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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)
Descriptor: Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ...
Authors:Baumhardt, J.M, Chook, Y.M.
Deposit date:2020-06-24
Release date:2021-01-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.942 Å)
Cite: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
Descriptor: DNA repair protein REV1
Authors:Pryor, J.M, Gakhar, L, Washington, M.T.
Deposit date:2012-12-11
Release date:2013-01-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9669 Å)
Cite: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
Descriptor: MANGANESE (II) ION, MERCURY (II) ION, Ribonucleoside-diphosphate reductase 1
Authors:Sommerhalter, M, Saleh, L, Bollinger Jr, J.M, Rosenzweig, A.C.
Deposit date:2005-08-08
Release date:2005-11-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
Authors: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.
Deposit date:2009-12-14
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: GLUTATHIONE, Glutathione S-transferase-like protein YibF, SULFATE ION
Authors: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)
Deposit date:2012-12-09
Release date:2012-12-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: CHLORIDE ION, MAGNESIUM ION, Polymerase cofactor VP35, ...
Authors: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.
Deposit date:2009-12-14
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
Authors:Grimes, J.M, Butcher, S.J, Makeyev, E.V, Bamford, D.H, Stuart, D.I.
Deposit date:2000-12-28
Release date:2001-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Collagen alpha3(VI)
Authors:Mikolajek, H, Becker, A.K.A, Paulsson, M, Wagener, R, Werner, J.M.
Deposit date:2012-12-19
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite: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
Descriptor: Alpha-conotoxin BuIA, MANGANESE (II) ION, Soluble acetylcholine receptor
Authors:Talley, T.T, Reger, A.S, Kim, C, Sankaran, B, Ho, K, Taylor, P, McIntosh, J.M.
Deposit date:2012-05-02
Release date:2013-05-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite: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
Descriptor: 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
Authors:Murray, J.M.
Deposit date:2012-05-03
Release date:2012-07-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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.
Descriptor: 5-methylthioadenosine/S-adenosylhomocysteine deaminase, CHLORIDE ION, INOSINE, ...
Authors: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)
Deposit date:2012-05-04
Release date:2012-06-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.851 Å)
Cite: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
Descriptor: Colicin-E7 immunity protein, Fab WO2 anti-amyloid-beta antibody Fab fragment, Im7 immunity protein
Authors: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.
Deposit date:2012-05-09
Release date:2013-05-15
Last modified:2014-09-03
Method:X-RAY DIFFRACTION (2.57 Å)
Cite: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
Descriptor: CHLORIDE ION, CONSENSUS ZINC FINGER, DNA (5'-D(*AP*TP*GP*AP*GP*GP*CP*AP*GP*AP*AP*CP*T)-3'), ...
Authors:Kim, C.A, Berg, J.M.
Deposit date:1996-09-27
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile, CALCIUM ION, PROTEIN (SCYTALONE DEHYDRATASE)
Authors:Chen, J.M, Xu, S.L, Wawrzak, Z, Basarab, G.S, Jordan, D.B.
Deposit date:1998-10-16
Release date:1999-10-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: ENDO-1,4-BETA-XYLANASE
Authors:Wouters, J, Georis, J, Dusart, J, Frere, J.M, Depiereux, E, Charlier, P.
Deposit date:2001-01-05
Release date:2001-11-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, STAUROSPORINE, Serine/threonine-protein kinase 32A
Authors: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)
Deposit date:2012-06-26
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
To be Published
4FC3
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BU of 4fc3 by Molmil
Crystal Structure of Human Methaemoglobin Complexed with the Second NEAT Domain of IsdH from Staphylococcus aureus
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated surface determinant protein H, ...
Authors:Krishna Kumar, K, Jacques, D.A, Guss, J.M, Gell, D.A.
Deposit date:2012-05-24
Release date:2013-05-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.26 Å)
Cite: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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数据于2024-11-06公开中

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