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4PX6
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SYK catalytic domain in complex with a potent pyridopyrimidinone inhibitor
分子名称: 7-{[(1R,2S)-2-aminocyclohexyl]amino}-5-(1H-indol-7-ylamino)pyrido[4,3-d]pyrimidin-4(3H)-one, Tyrosine-protein kinase SYK
著者Lee, C.C.
登録日2014-03-21
公開日2014-04-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Syk inhibitors with high potency in presence of blood.
Bioorg.Med.Chem.Lett., 24, 2014
4HOR
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BU of 4hor by Molmil
Crystal Structure of Full-Length Human IFIT5 with 5`-triphosphate Oligocytidine
分子名称: Interferon-induced protein with tetratricopeptide repeats 5, MAGNESIUM ION, RNA (5'-R(*(CTP)P*CP*CP*CP*C)-3')
著者Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B.
登録日2012-10-22
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins.
Nature, 494, 2013
4QAC
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BU of 4qac by Molmil
X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(4-methylpiperidin-1-yl)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine, Acetylcholine-binding protein, ...
著者Kaczanowska, K, Harel, M, Radic, Z, Changeux, J.-P, Finn, M.G, Taylor, P.
登録日2014-05-03
公開日2014-07-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
6RRC
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BU of 6rrc by Molmil
Crystal structure of the N-terminal region of human cohesin subunit STAG1 in complex with RAD21 peptide
分子名称: Cohesin subunit SA-1, Double-strand-break repair protein rad21 homolog, SULFATE ION
著者Newman, J.A, Katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-17
公開日2019-06-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers.
Life Sci Alliance, 3, 2020
4HR3
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BU of 4hr3 by Molmil
Structure of a putative acyl-CoA dehydrogenase from Mycobacterium abscessus
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative acyl-CoA dehydrogenase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-10-26
公開日2012-11-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
6RUM
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BU of 6rum by Molmil
Crystal structure of GFP-LAMA-G97 - a GFP enhancer nanobody with cpDHFR insertion and TMP and NADPH
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GFP-LAMA-G97 a GFP enhancer nanobody with cpDHFR insertion, ...
著者Farrants, H, Tarnawski, M, Mueller, T.G, Otsuka, S, Hiblot, J, Koch, B, Kueblbeck, M, Kraeusslich, H.-G, Ellenberg, J, Johnsson, K.
登録日2019-05-28
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Chemogenetic Control of Nanobodies.
Nat.Methods, 17, 2020
4HS6
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BU of 4hs6 by Molmil
Hepatitus C envelope glycoprotein E2 fragment 412-423 with humanized and affinity-matured antibody MRCT10.v362
分子名称: E2-peptide, MRCT10.v362 Fab heavy chain, MRCT10.v362 Fab light chain
著者Eigenbrot, C, Ultsch, M.
登録日2012-10-29
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Glycan shifting on hepatitis C virus (HCV) e2 glycoprotein is a mechanism for escape from broadly neutralizing antibodies.
J.Mol.Biol., 425, 2013
4HOU
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BU of 4hou by Molmil
Crystal Structure of N-terminal Human IFIT1
分子名称: Interferon-induced protein with tetratricopeptide repeats 1
著者Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B.
登録日2012-10-22
公開日2013-01-30
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins.
Nature, 494, 2013
4PYV
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BU of 4pyv by Molmil
Crystal structure of renin in complex with compound4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Renin, ...
著者Ostermann, N, Zink, F.
登録日2014-03-28
公開日2014-10-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors.
ACS Med Chem Lett, 5, 2014
4Q1N
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BU of 4q1n by Molmil
Structure-based design of 4-hydroxy-3,5-substituted piperidines as direct renin inhibitors
分子名称: (3S,4R,5R)-N-cyclopropyl-N'-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-N-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Schiering, N, D'Arcy, A, Irie, O, Yokokawa, F.
登録日2014-04-04
公開日2014-08-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors.
ACS Med Chem Lett, 5, 2014
4MFK
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BU of 4mfk by Molmil
The crystal structure of acyltransferase in complex with decanoyl-CoA
分子名称: Putative uncharacterized protein tcp24, SULFATE ION, decanoyl-CoA
著者Lyu, S.Y, Liu, Y.C, Chang, C.Y, Huang, C.J, Li, T.L.
登録日2013-08-28
公開日2014-09-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
4Q38
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BU of 4q38 by Molmil
The crystal structure of acyltransferase in complex with decanoyl-CoA and teicoplanin
分子名称: 2-amino-6-O-decanoyl-2-deoxy-beta-D-glucopyranose, COENZYME A, Putative uncharacterized protein tcp24, ...
著者Li, T.-L, Lyu, S.-Y, Liu, Y.-C, Chang, C.-Y, Huang, C.-J.
登録日2014-04-11
公開日2014-09-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
4QAA
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BU of 4qaa by Molmil
X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(4-Methoxyphenyl)-N4-octylpyrimidine-2,4-diamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(4-methoxyphenyl)-N~4~-octylpyrimidine-2,4-diamine, Acetylcholine-binding protein, ...
著者Kaczanowska, K, Harel, M, Radic, Z, Changeux, J.-P, Finn, M.G, Taylor, P.
登録日2014-05-03
公開日2014-07-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
4HOT
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BU of 4hot by Molmil
Crystal Structure of Full-Length Human IFIT5 with 5`-triphosphate Oligoadenine
分子名称: Interferon-induced protein with tetratricopeptide repeats 5, MAGNESIUM ION, RNA (5'-R(*(ATP)P*AP*AP*A)-3')
著者Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B.
登録日2012-10-22
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins.
Nature, 494, 2013
4HON
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BU of 4hon by Molmil
Crystal structure of human JMJD2D/KDM4D in complex with an H3K9me3 peptide and 2-oxoglutarate
分子名称: 1,3-PROPANDIOL, 2-OXOGLUTARIC ACID, Histone H3 Peptide, ...
著者Krishnan, S, Trievel, R.C.
登録日2012-10-22
公開日2012-11-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Structural and Functional Analysis of JMJD2D Reveals Molecular Basis for Site-Specific Demethylation among JMJD2 Demethylases.
Structure, 21, 2013
4HS8
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BU of 4hs8 by Molmil
Hepatitus C envelope glycoprotein E2 fragment 412-423 with humanized and affinity-matured antibody hu5B3.v3
分子名称: E2-peptide, GLYCEROL, SULFATE ION, ...
著者Eigenbrot, C, Ultsch, M.
登録日2012-10-29
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Glycan shifting on hepatitis C virus (HCV) e2 glycoprotein is a mechanism for escape from broadly neutralizing antibodies.
J.Mol.Biol., 425, 2013
4Q25
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BU of 4q25 by Molmil
Crystal structure of PhoU from Pseudomonas aeruginosa
分子名称: Phosphate-specific transport system accessory protein PhoU homolog
著者Lee, S.J, Lee, B.-J, Suh, S.W.
登録日2014-04-07
公開日2015-02-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal structure of PhoU from Pseudomonas aeruginosa, a negative regulator of the Pho regulon.
J.Struct.Biol., 188, 2014
6IIL
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BU of 6iil by Molmil
USP14 catalytic domain bind to IU1-47
分子名称: 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14
著者Mei, Z.Q, Wang, Y.W, Wang, F, Wang, J.W, He, W, Ding, S, Li, J.W.
登録日2018-10-07
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
2YAS
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BU of 2yas by Molmil
HYDROXYNITRILE LYASE FROM HEVEA BRASILIENSIS COMPLEXED WITH RHODANIDE
分子名称: PROTEIN (HYDROXYNITRILE LYASE), SULFATE ION, THIOCYANATE ION
著者Gruber, K, Gugganig, M, Kratky, C.
登録日1999-03-11
公開日1999-10-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis.
Protein Sci., 8, 1999
4HOS
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BU of 4hos by Molmil
Crystal Structure of Full-Length Human IFIT5 with 5`-triphosphate Oligouridine
分子名称: Interferon-induced protein with tetratricopeptide repeats 5, RNA (5'-R(*(UTP)P*UP*UP*U)-3'), SODIUM ION
著者Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B.
登録日2012-10-22
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins.
Nature, 494, 2013
4Q49
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BU of 4q49 by Molmil
Room temperature neutron crystal structure of apo human carbonic anhydrase at pH 7.5
分子名称: Carbonic anhydrase 2, ZINC ION
著者Fisher, S.Z, McKenna, R.
登録日2014-04-14
公開日2015-02-25
最終更新日2023-09-20
実験手法NEUTRON DIFFRACTION (1.8 Å)
主引用文献Joint neutron crystallographic and NMR solution studies of Tyr residue ionization and hydrogen bonding: Implications for enzyme-mediated proton transfer.
Proc.Natl.Acad.Sci.USA, 112, 2015
3TED
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BU of 3ted by Molmil
Crystal structure of the Chd1 DNA-binding domain in complex with a DNA duplex
分子名称: 5'-D(*CP*CP*AP*TP*AP*TP*AP*TP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*TP*AP*TP*AP*TP*AP*TP*GP*G)-3', Chromo domain-containing protein 1
著者Sharma, A, Jenkins, K.R, Heroux, A, Bowman, G.D.
登録日2011-08-12
公開日2011-11-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献DNA-binding domain of Chd1 in complex with a DNA duplex
J.Biol.Chem., 2011
4Q36
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BU of 4q36 by Molmil
The crystal structure of acyltransferase in complex with octanoyl-CoA and teicoplanin
分子名称: 2-amino-2-deoxy-beta-D-glucopyranose, OCTANOYL-COENZYME A, Putative uncharacterized protein tcp24, ...
著者Li, T.-L, Lyu, S.-Y, Liu, Y.-C, Chang, C.-Y, Huang, C.-J.
登録日2014-04-11
公開日2014-09-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Multiple complexes of long aliphatic N-acyltransferases lead to synthesis of 2,6-diacylated/2-acyl-substituted glycopeptide antibiotics, effectively killing vancomycin-resistant enterococcus
J.Am.Chem.Soc., 136, 2014
6SCO
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BU of 6sco by Molmil
Cryo-EM Structure of Potato Leaf Roll Virus VLP
分子名称: Coat protein
著者Byrne, M.J, Ranson, N.A.
登録日2019-07-25
公開日2019-10-02
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Combining Transient Expression and Cryo-EM to Obtain High-Resolution Structures of Luteovirid Particles.
Structure, 27, 2019
6SGK
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BU of 6sgk by Molmil
Nek2 kinase bound to inhibitor 102
分子名称: 2-phenylazanyl-9~{H}-purine-6-carbonitrile, Serine/threonine-protein kinase Nek2
著者Richards, M.W, Mas-Droux, C.P, Bayliss, R.
登録日2019-08-05
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献2-Arylamino-6-ethynylpurines are cysteine-targeting irreversible inhibitors of Nek2 kinase.
Rsc Med Chem, 11, 2020

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