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4IJN
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BU of 4ijn by Molmil
Crystal structure of an acetate kinase from Mycobacterium smegmatis bound to AMP and sulfate
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Acetate kinase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-12-21
公開日2013-01-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
7C7U
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BU of 7c7u by Molmil
Biofilm associated protein - BSP domain
分子名称: Biofilm-associated surface protein, CALCIUM ION
著者Ma, J.F, Xu, Z.H, Zhang, Y.K, Cheng, X, Fan, S.L, Wang, J.W, Fang, X.Y.
登録日2020-05-26
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural mechanism for modulation of functional amyloid and biofilm formation by Staphylococcal Bap protein switch.
Embo J., 40, 2021
7C7R
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BU of 7c7r by Molmil
Biofilm associated protein - B domain
分子名称: Biofilm-associated surface protein, CALCIUM ION
著者Ma, J.F, Xu, Z.H, Zhang, Y.K, Cheng, X, Fan, S.L, Wang, J.W, Fang, X.Y.
登録日2020-05-26
公開日2021-05-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Structural mechanism for modulation of functional amyloid and biofilm formation by Staphylococcal Bap protein switch.
Embo J., 40, 2021
3NR2
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BU of 3nr2 by Molmil
Crystal structure of Caspase-6 zymogen
分子名称: Caspase-6
著者Su, X.-D, Wang, X.-J, Liu, X, Mi, W, Wang, K.-T.
登録日2010-06-30
公開日2010-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of human caspase 6 reveal a new mechanism for intramolecular cleavage self-activation
Embo Rep., 11, 2010
7M4S
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BU of 7m4s by Molmil
Crystal structure of macrocyclase AMdnB from Anabaena sp. PCC 7120
分子名称: AMdnB protein
著者Li, G, Bruner, S.D.
登録日2021-03-22
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.493 Å)
主引用文献Structural and biochemical studies of an iterative ribosomal peptide macrocyclase.
Proteins, 90, 2022
6C6Y
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BU of 6c6y by Molmil
Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque in complex with MERS Receptor Binding Domain
分子名称: JC57-14 Heavy chain, JC57-14 Light chain, SULFATE ION, ...
著者Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D.
登録日2018-01-19
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Importance of Neutralizing Monoclonal Antibodies Targeting Multiple Antigenic Sites on the Middle East Respiratory Syndrome Coronavirus Spike Glycoprotein To Avoid Neutralization Escape.
J. Virol., 92, 2018
6DI4
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BU of 6di4 by Molmil
Rational Modification of Vanillin Derivatives to Stereospecifically Destabilize Sickle Hemoglobin Polymer Formation
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Pagare, P.P, Musayev, F.N.
登録日2018-05-22
公開日2018-09-05
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational modification of vanillin derivatives to stereospecifically destabilize sickle hemoglobin polymer formation.
Acta Crystallogr D Struct Biol, 74, 2018
6DJ7
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BU of 6dj7 by Molmil
HIV-1 protease with mutation L76V in complex with GRL-5010 (gem-difluoro-bis-tetrahydrofuran as P2 ligand)
分子名称: (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ...
著者Wong-Sam, A.E, Wang, Y.F, Weber, I.T.
登録日2018-05-24
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
6D78
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BU of 6d78 by Molmil
The complex between high-affinity TCR DMF5(alpha-D26Y,beta-L98W) and human Class I MHC HLA-A2 with the bound MART-1(27-35)peptide
分子名称: Beta-2-microglobulin, DMF5 alpha chain,DMF5 alpha chain, DMF5 beta chain,DMF5 beta chain, ...
著者Hellman, L.M, Singh, N.K.
登録日2018-04-24
公開日2019-04-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.347 Å)
主引用文献Improving T Cell Receptor On-Target Specificity via Structure-Guided Design.
Mol. Ther., 27, 2019
6DIF
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BU of 6dif by Molmil
Wild-type HIV-1 protease in complex with tipranavir
分子名称: CHLORIDE ION, GLYCEROL, HIV-1 protease, ...
著者Wong-Sam, A.E, Wang, Y.-F, Weber, I.T.
登録日2018-05-23
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
6DIL
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BU of 6dil by Molmil
HIV-1 protease with single mutation L76V in complex with tipranavir
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Wong-Sam, A.E, Wang, Y.-F, Weber, I.T.
登録日2018-05-23
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.482 Å)
主引用文献Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
6DKP
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BU of 6dkp by Molmil
The complex among DMF5(alpha-D26Y, alpha-Y50A,beta-L98W) TCR, human Class I MHC HLA-A2 and MART-1(26-35)(A27L) peptide
分子名称: Beta-2-microglobulin, DMF5 T-cell Receptor Alpha Chain fusion, DMF5 T-cell Receptor Beta Chain fusion, ...
著者Hellman, L.M, Singh, N.K.
登録日2018-05-30
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.966 Å)
主引用文献Improving T Cell Receptor On-Target Specificity via Structure-Guided Design.
Mol. Ther., 27, 2019
6AS7
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BU of 6as7 by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC CORE OF HUMAN DNA POLYMERASE ALPHA IN TERNARY COMPLEX WITH AN DNA-PRIMED DNA TEMPLATE AND DCTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, COBALT (II) ION, DNA (5'-D(*AP*GP*GP*CP*GP*CP*TP*CP*CP*AP*GP*GP*C)-3'), ...
著者Tahirov, T.H, Baranovskiy, A.G, Babayeva, N.D.
登録日2017-08-23
公開日2018-03-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Activity and fidelity of human DNA polymerase alpha depend on primer structure.
J. Biol. Chem., 293, 2018
7MLB
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BU of 7mlb by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex with 5nt RNA
分子名称: DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*AP*GP*GP*GP*AP*TP*GP*CP*AP*G)-3'), DNA (5'-D(P*CP*TP*GP*CP*AP*TP*CP*CP*CP*TP*GP*AP*GP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Liu, Y, Ebright, R.H.
登録日2021-04-28
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural and mechanistic basis of reiterative transcription initiation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7MLI
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BU of 7mli by Molmil
Crystal structure of Thermus thermophilus reiterative transcription complex with 5nt oligo-C RNA
分子名称: DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*CP*TP*AP*CP*GP*GP*AP*TP*G)-3'), DNA (5'-D(P*CP*AP*TP*CP*CP*GP*TP*AP*GP*GP*GP*CP*GP*GP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Liu, Y, Ebright, R.H.
登録日2021-04-28
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural and mechanistic basis of reiterative transcription initiation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7MLJ
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BU of 7mlj by Molmil
Crystal structure of Thermus thermophilus reiterative transcription complex with 4nt oligo-G RNA
分子名称: DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*GP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA (5'-D(P*CP*AP*TP*CP*CP*GP*TP*GP*CP*CP*CP*TP*GP*AP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Liu, Y, Ebright, R.H.
登録日2021-04-28
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Structural and mechanistic basis of reiterative transcription initiation.
Proc.Natl.Acad.Sci.USA, 119, 2022
3SX2
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BU of 3sx2 by Molmil
Crystal structure of a putative 3-ketoacyl-(acyl-carrier-protein) reductase from Mycobacterium paratuberculosis in complex with NAD
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative 3-ketoacyl-(acyl-carrier-protein) reductase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-07-14
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
3NE7
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BU of 3ne7 by Molmil
Crystal structure of paia n-acetyltransferase from thermoplasma acidophilum in complex with coenzyme a
分子名称: ACETYLTRANSFERASE, BETA-MERCAPTOETHANOL, COENZYME A, ...
著者Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, F.W, Midwest Center for Structural Genomics (MCSG)
登録日2010-06-08
公開日2010-07-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the novel PaiA N-acetyltransferase from Thermoplasma acidophilum involved in the negative control of sporulation and degradative enzyme production.
Proteins, 79, 2011
4FFW
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BU of 4ffw by Molmil
Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with Fab + sitagliptin
分子名称: (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, Dipeptidyl peptidase 4, Fab heavy chain, ...
著者Wang, Z, Sudom, A, Walker, N.P, Min, X.
登録日2012-06-01
公開日2012-12-12
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
6DJ5
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BU of 6dj5 by Molmil
HIV-1 protease with mutation L76V in complex with GRL-0519 (tris-tetrahydrofuran as P2 ligand)
分子名称: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ...
著者Wong-Sam, A.E, Wang, Y.F, Weber, I.T.
登録日2018-05-24
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
5E2I
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BU of 5e2i by Molmil
Acetylcholinesterase Methylene Blue no PEG
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, DECAMETHONIUM ION, ...
著者Dym, O.
登録日2015-10-01
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex.
Protein Sci., 25, 2016
4KAM
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BU of 4kam by Molmil
X-ray crystal structure of O-acetylhomoserine sulfhydrylase MetC from Mycobacterium marinum ATCC BAA-535 / M
分子名称: O-acetylhomoserine sulfhydrylase MetC, SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-04-22
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4FFV
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BU of 4ffv by Molmil
Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19 Fab
分子名称: 11A19 Fab heavy chain, 11A19 Fab light chain, Dipeptidyl peptidase 4
著者Wang, Z, Sudom, A, Walker, N.P, Min, X.
登録日2012-06-01
公開日2012-12-12
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An Inhibitory Antibody Against DPP IV Improves Glucose Tolerance in vivo - Validation of Large Molecule Approach for DPP IV Inhibition
To be published
6IYF
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BU of 6iyf by Molmil
Structure of pSTING complex
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, SULFATE ION, Stimulator of interferon genes protein
著者Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
登録日2018-12-15
公開日2019-06-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.764 Å)
主引用文献Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
3OHH
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BU of 3ohh by Molmil
Crystal structure of beta-site app-cleaving enzyme 1 (bace-wt) complex with bms-681889 aka n~1~-butyl-5-cyano- n~3~-((1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-((3- methoxybenzyl)amino)propyl)-n~1~-methyl-1h-indole-1,3- dicarboxamide
分子名称: Beta-secretase 1, GLYCEROL, N~1~-butyl-5-cyano-N~3~-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~-methyl-1H-indole-1,3-dicarboxamide, ...
著者Muckelbauer, J.K.
登録日2010-08-17
公開日2011-04-06
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Synthesis and SAR of indole-and 7-azaindole-1,3-dicarboxamide hydroxyethylamine inhibitors of BACE-1.
Bioorg.Med.Chem.Lett., 21, 2011

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