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4KHS
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BU of 4khs by Molmil
Ternary complex of RB69 mutant L415F with a ribonucleotide at 0 position
分子名称: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*CP*C)-3'), ...
著者Clausen, A.R, Pedersen, L.C.
登録日2013-05-01
公開日2013-10-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure-function analysis of ribonucleotide bypass by B family DNA replicases.
Proc.Natl.Acad.Sci.USA, 110, 2013
4K7F
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BU of 4k7f by Molmil
Newly identified epitope V60 from HBV core protein complexed with HLA-A*0201
分子名称: Beta-2-microglobulin, Core protein, HLA class I histocompatibility antigen, ...
著者Meng, S.D, Zhang, Y, Wu, Y, Qi, J.X.
登録日2013-04-17
公開日2013-06-05
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The L60V variation in hepatitis B virus core protein elicits new epitope-specific cytotoxic T lymphocytes and enhances viral replication.
J.Virol., 87, 2013
4KLL
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BU of 4kll by Molmil
DNA polymerase beta matched product complex with Mg2+, 45 min
分子名称: 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Freudenthal, B.D, Beard, W.A, Shock, D.D, Wilson, S.H.
登録日2013-05-07
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.841 Å)
主引用文献Observing a DNA polymerase choose right from wrong.
Cell(Cambridge,Mass.), 154, 2013
7C35
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BU of 7c35 by Molmil
Crystal structure of M96A mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae
分子名称: Cysteine synthase
著者Abhishek, K, Rahisuddin, R, Kumaran, S.
登録日2020-05-11
公開日2020-06-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular mechanism of selective substrate engagement and inhibitor disengagement of cysteine synthase.
J.Biol.Chem., 296, 2020
4KLQ
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BU of 4klq by Molmil
Observing a DNA polymerase choose right from wrong.
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*A)-3', ...
著者Freudenthal, B.D, Beard, W.A, Shock, D.D, Wilson, S.H.
登録日2013-05-07
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Observing a DNA polymerase choose right from wrong.
Cell(Cambridge,Mass.), 154, 2013
7CBK
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BU of 7cbk by Molmil
Structure of Human Neutrophil Elastase Ecotin complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ecotin, ...
著者Jobichen, C, Sivaraman, J.
登録日2020-06-12
公開日2020-08-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis for the Inhibition Mechanism of Ecotin against Neutrophil Elastase by Targeting the Active Site and Secondary Binding Site.
Biochemistry, 59, 2020
4KH1
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BU of 4kh1 by Molmil
The R state structure of E. coli ATCase with CTP,UTP, and Magnesium bound
分子名称: Aspartate carbamoyltransferase, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Cockrell, G.M, Zheng, Y, Guo, W, Peterson, A.W, Kantrowitz, E.R.
登録日2013-04-29
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献New Paradigm for Allosteric Regulation of Escherichia coli Aspartate Transcarbamoylase.
Biochemistry, 52, 2013
2YIO
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BU of 2yio by Molmil
Crystal Structure of Parasite Sarcocystis muris Microneme Protein SML- 2 in complex with 1-Thio-beta-D-Galactose (SPACEGROUP C2221)
分子名称: 1-thio-beta-D-galactopyranose, CHLORIDE ION, GLYCEROL, ...
著者Mueller, J.J, Heinemann, U.
登録日2011-05-16
公開日2011-11-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Pan-Modular Structure of Microneme Protein Sml-2 from Parasite Sarcocystis Muris at 1.95 A Resolution and its Complex with 1-Thio-Beta-D-Galactose.
Acta Crystallogr.,Sect.D, D67, 2011
4KLD
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BU of 4kld by Molmil
DNA polymerase beta matched substrate complex with Ca2+, 0 s
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', ...
著者Freudenthal, B.D, Beard, W.A, Shock, D.D, Wilson, S.H.
登録日2013-05-07
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.916 Å)
主引用文献Observing a DNA polymerase choose right from wrong.
Cell(Cambridge,Mass.), 154, 2013
4KO9
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BU of 4ko9 by Molmil
Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V95I/Y108F)
分子名称: Azurin, COPPER (II) ION
著者Inampudi, K.K, Tobin, P.H, Wilson, C.J.
登録日2013-05-11
公開日2014-05-14
実験手法X-RAY DIFFRACTION (2.054 Å)
主引用文献Investigating the functional significance of the interlocked pair structural determinants in Pseudomonas aeruginosa azurin (V95I/Y108F)
To be Published
2YJW
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BU of 2yjw by Molmil
Tricyclic series of Hsp90 inhibitors
分子名称: 4-(5-METHYL-4-PHENYLISOXAZOL-3-YL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Dupuy, A, Vallee, F.
登録日2011-05-24
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 54, 2011
4KHU
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BU of 4khu by Molmil
Ternary complex of rb69 mutant L415F with a ribonucleotide at -1 position
分子名称: CALCIUM ION, DNA (5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*CP*C)-3'), DNA polymerase, ...
著者Clausen, A.R, Pedersen, L.C.
登録日2013-05-01
公開日2013-10-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-function analysis of ribonucleotide bypass by B family DNA replicases.
Proc.Natl.Acad.Sci.USA, 110, 2013
4KLO
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BU of 4klo by Molmil
DNA polymerase beta matched nick complex with Mg2+ and PPi, 30 min
分子名称: 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Freudenthal, B.D, Beard, W.A, Shock, D.D, Wilson, S.H.
登録日2013-05-07
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.845 Å)
主引用文献Observing a DNA polymerase choose right from wrong.
Cell(Cambridge,Mass.), 154, 2013
4K28
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BU of 4k28 by Molmil
2.15 Angstrom resolution crystal structure of a shikimate dehydrogenase family protein from Pseudomonas putida KT2440 in complex with NAD+
分子名称: MANGANESE (II) ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
著者Garcia, C, Peek, J, Petit, P, Christendat, D.
登録日2013-04-08
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Insights into the function of RifI2: structural and biochemical investigation of a new shikimate dehydrogenase family protein.
Biochim.Biophys.Acta, 1834, 2013
7C53
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BU of 7c53 by Molmil
Crystal Structure of SARS-CoV-2 HR1 motif in complex with pan-CoVs inhibitor EK1
分子名称: CALCIUM ION, Spike protein S2',pan-CoVs inhibitor EK1
著者Zhu, Y, Yang, X, Sun, F.
登録日2020-05-19
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.278 Å)
主引用文献Structural and functional basis for pan-CoV fusion inhibitors against SARS-CoV-2 and its variants with preclinical evaluation.
Signal Transduct Target Ther, 6, 2021
7C7B
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BU of 7c7b by Molmil
Crystal structure of human TRAP1 with SJT009
分子名称: 2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial
著者Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S.
登録日2020-05-24
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity.
Acs Med.Chem.Lett., 12, 2021
7C7C
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BU of 7c7c by Molmil
Crystal structure of human TRAP1 with SJT104
分子名称: 2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial
著者Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S.
登録日2020-05-24
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity.
Acs Med.Chem.Lett., 12, 2021
7CJN
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BU of 7cjn by Molmil
grass carp interleukin-2
分子名称: Interleukin
著者Wang, J.
登録日2020-07-12
公開日2021-07-14
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structural insights into the co-evolution of IL-2 and its private receptor
To Be Published
7CWK
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BU of 7cwk by Molmil
Structure of a triple-helix region of human collagen type I
分子名称: Collagen type I
著者Zhu, Y, Yang, X, Sun, F.
登録日2020-08-29
公開日2021-09-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.539 Å)
主引用文献Conformation in a triple-helix region of human collagen type I
To Be Published
4JL1
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BU of 4jl1 by Molmil
Crystal structure of a bacterial fucosidase with a multivalent iminocyclitol inhibitor
分子名称: (3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide, GLYCEROL, IMIDAZOLE, ...
著者Wright, D.W, Davies, G.J.
登録日2013-03-12
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Exploring a Multivalent Approach to alpha-L-Fucosidase Inhibition
EUR.J.ORG.CHEM., 2013, 2013
4W97
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BU of 4w97 by Molmil
Structure of ketosteroid transcriptional regulator KstR2 of Mycobacterium tuberculosis
分子名称: CHLORIDE ION, HTH-type transcriptional repressor KstR2, S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-[(3aS,4S,7aS)-7a-methyl-1,5-bis(oxidanylidene)-2,3,3a,4,6,7-hexahydroinden-4-yl]propanethioate
著者Stogios, P.J, Evdokimova, E, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-08-27
公開日2014-11-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Functional Characterization of a Ketosteroid Transcriptional Regulator of Mycobacterium tuberculosis.
J.Biol.Chem., 290, 2015
4UXD
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BU of 4uxd by Molmil
2-keto 3-deoxygluconate aldolase from Picrophilus torridus
分子名称: 1,2-ETHANEDIOL, 2-DEHYDRO-3-DEOXY-D-GLUCONATE/2-DEHYDRO-3-DEOXY-PHOSPHOGLUCONATE ALDOLASE, DI(HYDROXYETHYL)ETHER, ...
著者Priftis, A, Zaitsev, V, Reher, M, Johnsen, U, Danson, M.J, Taylor, G.L, Schoenheit, P, Crennell, S.J.
登録日2014-08-22
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insights into the Substrate Specificity of Archaeal Entner-Doudoroff Aldolases: The Structures of Picrophilus torridus 2-Keto-3-deoxygluconate Aldolase and Sulfolobus solfataricus 2-Keto-3-deoxy-6-phosphogluconate Aldolase in Complex with 2-Keto-3-deoxy-6-phosphogluconate.
Biochemistry, 57, 2018
3ISC
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BU of 3isc by Molmil
Binary complex of human DNA polymerase beta with an abasic site (THF) in the gapped DNA
分子名称: 5'-D(*CP*CP*GP*AP*CP*(3DR)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H.
登録日2009-08-25
公開日2009-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献DNA polymerase beta substrate specificity: side chain modulation of the "A-rule".
J.Biol.Chem., 284, 2009
4W2Q
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BU of 4w2q by Molmil
Anti-Marburgvirus Nucleoprotein Single Domain Antibody C Complexed with Nucleoprotein C-terminal domain
分子名称: Anti-Marburgvirus Nucleoprotein Single Domain Antibody C, Nucleoprotein
著者Taylor, A.B, Garza, J.A.
登録日2017-08-17
公開日2017-10-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Unveiling a Drift Resistant Cryptotope withinMarburgvirusNucleoprotein Recognized by Llama Single-Domain Antibodies.
Front Immunol, 8, 2017
3ISD
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BU of 3isd by Molmil
Ternary complex of human DNA polymerase beta with an abasic site (THF): DAPCPP mismatch
分子名称: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, 5'-D(*CP*CP*GP*AP*CP*(3DR)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', ...
著者Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H.
登録日2009-08-25
公開日2009-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献DNA polymerase beta substrate specificity: side chain modulation of the "A-rule".
J.Biol.Chem., 284, 2009

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