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6S9U
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BU of 6s9u by Molmil
Crystal structure of sucrose 6F-phosphate phosphorylase from Ilumatobacter coccineus
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, ...
著者Capra, N, Franceus, J, Desmet, T, Thunnissen, A.M.W.H.
登録日2019-07-15
公開日2019-08-28
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Comparison of a Promiscuous and a Highly Specific Sucrose 6 F -Phosphate Phosphorylase.
Int J Mol Sci, 20, 2019
6SB8
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BU of 6sb8 by Molmil
Crystal Structure of BRD4(1) bound to inhibitor BUX14 (7)
分子名称: (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
著者Huegle, M.
登録日2019-07-19
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
3R3M
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BU of 3r3m by Molmil
Crystal structure of the FAF1 UBX domain
分子名称: FAS-associated factor 1, PHOSPHATE ION
著者Haenzelmann, P, Schindelin, H.
登録日2011-03-16
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Hierarchical Binding of Cofactors to the AAA ATPase p97.
Structure, 19, 2011
7QGP
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BU of 7qgp by Molmil
STK10 (LOK) bound to Macrocycle CKJB51
分子名称: 1,2-ETHANEDIOL, 1-[(4-chloranyl-2-methyl-phenyl)methyl]-3-(7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaen-5-yl)urea, CHLORIDE ION, ...
著者Berger, B.-T, Schroeder, M, Kraemer, A, Schwalm, M.P, Kurz, C.G, Amrhein, J.A, Hanke, T, Knapp, S, Structural Genomics Consortium (SGC)
登録日2021-12-09
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献STK10 bound to CKJB51
To Be Published
3RA8
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BU of 3ra8 by Molmil
Structural studies of AAV8 capsid transitions associated with endosomal trafficking
分子名称: ADENOSINE MONOPHOSPHATE, Capsid protein
著者Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M.
登録日2011-03-27
公開日2011-09-21
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking.
J.Virol., 85, 2011
3RB9
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BU of 3rb9 by Molmil
Crystal structure of the M. tuberculosis beta clamp
分子名称: DNA polymerase III subunit beta
著者Kukshal, V, Ramachandran, R.
登録日2011-03-29
公開日2012-04-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献M. tuberculosis Sliding beta-Clamp Does Not Interact Directly with the NAD(+)-Dependent DNA Ligase
Plos One, 7, 2012
6SAJ
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BU of 6saj by Molmil
Crystal Structure of BRD4(1) bound to inhibitor BUX6 (12)
分子名称: (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
著者Huegle, M.
登録日2019-07-16
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines.
J.Med.Chem., 63, 2020
3ROX
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BU of 3rox by Molmil
Crystal Structure of Mouse Apolipoprotein A-I Binding Protein in Complex with Theophylline
分子名称: Apolipoprotein A-I-binding protein, SULFATE ION, THEOPHYLLINE
著者Shumilin, I.A, Jha, K.N, Cymborowski, M, Herr, J.C, Minor, W.
登録日2011-04-26
公開日2012-07-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RQ5
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BU of 3rq5 by Molmil
Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis co-crystallized with ATP/Mg2+ and soaked with CoA
分子名称: ADP/ATP-dependent NAD(P)H-hydrate dehydratase, COENZYME A, GLYCEROL
著者Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2011-04-27
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
3RQH
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BU of 3rqh by Molmil
Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis in complex with P1,P6-Di(adenosine-5') hexaphosphate
分子名称: ADP/ATP-DEPENDENT NAD(P)H-HYDRATE DEHYDRATASE, MAGNESIUM ION, P1,P6-Di(adenosine-5') hexaphosphate
著者Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2011-04-28
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
6SBX
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BU of 6sbx by Molmil
CdbA Form Two
分子名称: CdbA
著者Lovering, A.L, Cadby, I.T.
登録日2019-07-22
公開日2020-04-22
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献CdbA is a DNA-binding protein and c-di-GMP receptor important for nucleoid organization and segregation in Myxococcus xanthus.
Nat Commun, 11, 2020
3RSY
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BU of 3rsy by Molmil
Cellobiose phosphorylase from Cellulomonas uda in complex with sulfate and glycerol
分子名称: Cellobiose phosphorylase, GLYCEROL, SULFATE ION
著者Van Hoorebeke, A, Stout, J, Soetaert, W, Van Beeumen, J, Desmet, T, Savvides, S.
登録日2011-05-02
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Cellobiose phosphorylase: reconstructing the structural itinerary along the catalytic pathway
To be Published
3R16
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BU of 3r16 by Molmil
Human CAII bound to N-(4-sulfamoylphenyl)-2-(thiophen-2-yl) acetamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Biswas, S, McKenna, R, Supuran, C.T.
登録日2011-03-09
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Conformational variability of different sulfonamide inhibitors with thienyl-acetamido moieties attributes to differential binding in the active site of cytosolic human carbonic anhydrase isoforms.
Bioorg.Med.Chem., 19, 2011
6SAR
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BU of 6sar by Molmil
E coli BepA/YfgC
分子名称: Beta-barrel assembly-enhancing protease, SULFATE ION, ZINC ION
著者Lovering, A.L, Cadby, I.T.
登録日2019-07-17
公開日2020-08-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure-Function Characterization of the Conserved Regulatory Mechanism of the Escherichia coli M48 Metalloprotease BepA.
J.Bacteriol., 203, 2020
3R6D
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BU of 3r6d by Molmil
Crystal structure of NAD-dependent epimerase/dehydratase from Veillonella parvula DSM 2008 with Cz-methylated lysine
分子名称: NAD-dependent epimerase/dehydratase
著者Chang, C, Hatzos-Skintges, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-03-21
公開日2011-04-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of NAD-dependent epimerase/dehydratase from Veillonella parvula DSM 2008 with Cz-methylated lysine
To be Published
3R7A
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BU of 3r7a by Molmil
Crystal structure of phosphoglycerate mutase from Bacillus anthracis str. Sterne
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Phosphoglycerate mutase, putative
著者Chang, C, Chhor, G, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-03-22
公開日2011-04-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.845 Å)
主引用文献Crystal structure of phosphoglycerate mutase from Bacillus anthracis str. Sterne
To be Published
8DBB
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BU of 8dbb by Molmil
Crystal structure of DDT with the selective inhibitor 2,5-Pyridinedicarboxylic Acid
分子名称: CITRIC ACID, D-dopachrome decarboxylase, pyridine-2,5-dicarboxylic acid
著者Parkins, A, Banumathi, S, Pantouris, G.
登録日2022-06-14
公開日2023-03-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献2,5-Pyridinedicarboxylic acid is a bioactive and highly selective inhibitor of D-dopachrome tautomerase.
Structure, 31, 2023
6SKJ
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BU of 6skj by Molmil
DeltaC2 C-terminal truncation of HsNMT1 in complex with MyrCoA and GNCFSKPR substrates
分子名称: Apoptosis-inducing factor 3, COENZYME A, GLYCEROL, ...
著者Dian, C, Riviere, F.B, Asensio, T, Giglione, C, Meinnel, T.
登録日2019-08-15
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation.
Nat Commun, 11, 2020
3RT7
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BU of 3rt7 by Molmil
Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima in complex with ADP-glucose
分子名称: ADENOSINE-5'-DIPHOSPHATE-GLUCOSE, GLYCEROL, MAGNESIUM ION, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-05-03
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
6STU
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BU of 6stu by Molmil
Adenovirus 30 Fiber Knob protein
分子名称: 1,2-ETHANEDIOL, Fiber, GLUTAMIC ACID
著者Baker, A.T, Mundy, R.M, Rizkallah, P.J, Parker, A.L.
登録日2019-09-11
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Broad sialic acid usage amongst species D human adenovirus
npj Viruses, 1, 2023
3R09
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BU of 3r09 by Molmil
Crystal structure of probable HAD family hydrolase from Pseudomonas fluorescens Pf-5 with bound Mg
分子名称: Hydrolase, haloacid dehalogenase-like family, MAGNESIUM ION, ...
著者Vetting, M.W, Patskovsky, Y, Toro, R, Freeman, J, Miller, S, Sauder, J.M, Burley, S.K, Dunaway-Mariano, D, Allen, K.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI), New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2011-03-07
公開日2011-04-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of probable HAD family hydrolase from Pseudomonas fluorescens Pf-5 with bound Mg
To be Published
3R0U
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BU of 3r0u by Molmil
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Tartrate and Mg complex
分子名称: D(-)-TARTARIC ACID, Enzyme of enolase superfamily, GLYCEROL, ...
著者Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2011-03-09
公開日2011-04-06
最終更新日2012-03-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
3RIN
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BU of 3rin by Molmil
p38 kinase crystal structure in complex with small molecule inhibitor
分子名称: Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-(2'-oxo-1',2'-dihydrospiro[cyclopentane-1,3'-indol]-6'-yl)benzamide
著者Segarra, V, Eastwood, P, Roca, R, Fisher, M, Lamers, M.
登録日2011-04-14
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Indolin-2-one p38(alpha) inhibitors I: design, profiling and crystallographic binding mode.
Bioorg.Med.Chem.Lett., 21, 2011
6SK8
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BU of 6sk8 by Molmil
DeltaC3 C-terminal truncation of HsNMT1 in complex with MyrCoA and GDCFSKPR substrates
分子名称: Apoptosis-inducing factor 3, CHLORIDE ION, GLYCEROL, ...
著者Dian, C, Riviere, F.B, Asensio, T, Giglione, C, Meinnel, T.
登録日2019-08-14
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation.
Nat Commun, 11, 2020
3RO7
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BU of 3ro7 by Molmil
Crystal Structure of Mouse Apolipoprotein A-I Binding Protein in Complex with Thymine.
分子名称: Apolipoprotein A-I-binding protein, SULFATE ION, THYMINE
著者Shumilin, I.A, Jha, K.N, Cymborowski, M, Herr, J.C, Minor, W.
登録日2011-04-25
公開日2012-07-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012

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