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3VAK
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BU of 3vak by Molmil
Structure of U2AF65 variant with BrU5 DNA
分子名称: 1,4-DIETHYLENE DIOXIDE, DNA (5'-D(*UP*UP*UP*UP*(BRU)P*UP*U)-3'), GLYCEROL, ...
著者Jenkins, J.L, Kielkopf, C.L.
登録日2011-12-29
公開日2013-02-13
最終更新日2017-08-16
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献U2AF65 adapts to diverse pre-mRNA splice sites through conformational selection of specific and promiscuous RNA recognition motifs.
Nucleic Acids Res., 41, 2013
3VGK
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BU of 3vgk by Molmil
Crystal structure of a ROK family glucokinase from Streptomyces griseus
分子名称: Glucokinase, SULFATE ION, ZINC ION
著者Miyazono, K, Tabei, N, Morita, S, Ohnishi, Y, Horinouchi, S, Tanokura, M.
登録日2011-08-15
公開日2011-12-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Substrate recognition mechanism and substrate-dependent conformational changes of an ROK family glucokinase from Streptomyces griseus
J.Bacteriol., 194, 2012
3EKJ
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BU of 3ekj by Molmil
Calcium-free GCaMP2 (calcium binding deficient mutant)
分子名称: Myosin light chain kinase, Green fluorescent protein, Calmodulin chimera
著者Akerboom, J, Velez Rivera, J.D, Looger, L.L, Schreiter, E.R.
登録日2008-09-19
公開日2008-12-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structures of the GCaMP Calcium Sensor Reveal the Mechanism of Fluorescence Signal Change and Aid Rational Design
J.Biol.Chem., 284, 2009
3VL6
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BU of 3vl6 by Molmil
3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at 580 MPa
分子名称: 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, CALCIUM ION, ...
著者Nagae, T, Watanabe, N.
登録日2011-11-29
公開日2012-02-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献High-pressure-induced water penetration into 3-isopropylmalate dehydrogenase
Acta Crystallogr.,Sect.D, 68, 2012
3EON
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BU of 3eon by Molmil
2.55A crystal structure of native glutaryl-coa dehydrogenase from Burkholderia pseudomallei in complex with a small molecule
分子名称: (3,5-difluorophenyl)methanol, Glutaryl-CoA dehydrogenase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-09-28
公開日2008-10-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Probing conformational states of glutaryl-CoA dehydrogenase by fragment screening.
Acta Crystallogr.,Sect.F, 67, 2011
4Q9J
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BU of 4q9j by Molmil
P-glycoprotein cocrystallised with QZ-Val
分子名称: Multidrug resistance protein 1A, N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID
著者McGrath, A.P, Szewczyk, P, Chang, G.
登録日2014-05-01
公開日2015-03-04
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
3EMC
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BU of 3emc by Molmil
Crystal structure of XynB, an intracellular xylanase from Paenibacillus barcinonensis
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Endo-1,4-beta-xylanase
著者Sanz-Aparicio, J, Isorna, P, Gonzalez, B.
登録日2008-09-24
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into the specificity of Xyn10B from Paenibacillus barcinonensis and its improved stability by forced protein evolution.
J.Biol.Chem., 285, 2010
4Q71
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BU of 4q71 by Molmil
Crystal Structure of Bradyrhizobium japonicum Proline Utilization A (PutA) Mutant D779W
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Proline dehydrogenase, ...
著者Tanner, J.J, Luo, M, Pemberton, T.A.
登録日2014-04-23
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Kinetic and Structural Characterization of Tunnel-Perturbing Mutants in Bradyrhizobium japonicum Proline Utilization A.
Biochemistry, 53, 2014
3VFF
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BU of 3vff by Molmil
BlaC E166A CDC-OMe Acyl-Intermediate Complex
分子名称: (2R)-2-[(1S)-1-(benzoylamino)-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Mire, J.A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2012-01-09
公開日2012-09-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.777 Å)
主引用文献BlaC-Specific Fluorogenic Probes for Rapid Tuberculosis Detection
To be Published
4Q9H
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BU of 4q9h by Molmil
P-glycoprotein at 3.4 A resolution
分子名称: Multidrug resistance protein 1A
著者McGrath, A.P, Szewczyk, P, Chang, G.
登録日2014-05-01
公開日2015-03-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
3ENE
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BU of 3ene by Molmil
Complex of PI3K gamma with an inhibitor
分子名称: 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Apsel, B, Blair, J.A, Gonzalez, B.Z, Nazif, T.M, Feldman, M.E, Williams, R.L, Shokat, K.M, Knight, Z.A.
登録日2008-09-25
公開日2008-10-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases
Nat.Chem.Biol., 4, 2008
3VOP
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BU of 3vop by Molmil
Structure of Vaccinia virus A27
分子名称: DI(HYDROXYETHYL)ETHER, Protein A27
著者Chang, T.H, Ko, T.P, Hsieh, F.L, Wang, A.H.J.
登録日2012-01-31
公開日2013-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of vaccinia viral A27 protein reveals a novel structure critical for its function and complex formation with A26 protein.
Plos Pathog., 9, 2013
3VPM
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BU of 3vpm by Molmil
Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant
分子名称: FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2
著者Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J.
登録日2012-03-05
公開日2013-03-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Essential role of E106 in the proton-coupled electron transfer in human ribonucleotide reductase M2 subunit
To be Published
4QAS
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BU of 4qas by Molmil
1.27 A resolution structure of CT263-D161N (MTAN) from Chlamydia trachomatis
分子名称: CT263, SULFATE ION
著者Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S.
登録日2014-05-05
公開日2014-10-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway.
J.Biol.Chem., 289, 2014
3EL4
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BU of 3el4 by Molmil
Crystal structure of inhibitor saquinavir (SQV) complexed with the multidrug HIV-1 protease variant L63P/V82T/I84V
分子名称: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, Protease
著者Prabu-Jeyabalan, M, King, N, Schiffer, C.
登録日2008-09-19
公開日2009-09-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
3EOO
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BU of 3eoo by Molmil
2.9A crystal structure of methyl-isocitrate lyase from Burkholderia pseudomallei
分子名称: Methylisocitrate lyase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-09-28
公開日2008-10-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of isocitrate lyase from Brucella melitensis
To be Published
3VO8
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BU of 3vo8 by Molmil
Staphylococcus aureus FtsZ GDP-form
分子名称: CALCIUM ION, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE
著者Matsui, T, Mogi, N, Yao, M, Tanaka, I.
登録日2012-01-20
公開日2012-08-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.255 Å)
主引用文献Structural reorganization of the bacterial cell-division protein FtsZ from Staphylococcus aureus
Acta Crystallogr.,Sect.D, 68, 2012
3VSX
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BU of 3vsx by Molmil
Human renin in complex with compound 18
分子名称: (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Takahashi, M, Hanzawa, H.
登録日2012-05-11
公開日2012-07-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
4PXB
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BU of 4pxb by Molmil
The crystal structure of AtUAH in complex with (S)-ureidoglycolate
分子名称: (2S)-(carbamoylamino)(hydroxy)ethanoic acid, MANGANESE (II) ION, Ureidoglycolate hydrolase
著者Shin, I, Rhee, S.
登録日2014-03-23
公開日2014-07-23
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Structural insights into the substrate specificity of (s)-ureidoglycolate amidohydrolase and its comparison with allantoate amidohydrolase.
J.Mol.Biol., 426, 2014
3FPO
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BU of 3fpo by Molmil
HSSNNF segment from Islet Amyloid Polypeptide (IAPP or Amylin)
分子名称: HSSNNF hexapeptide segment from Islet Amyloid Polypeptide
著者Wiltzius, J.J.W, Sawaya, M.R, Eisenberg, D.
登録日2009-01-05
公開日2009-06-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular mechanisms for protein-encoded inheritance.
Nat.Struct.Mol.Biol., 16, 2009
4QNE
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BU of 4qne by Molmil
Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant, in complex with NAD and IMP
分子名称: INOSINIC ACID, Inosine 5'-monophosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
著者Osipiuk, J, Maltseva, N, Makowska-Grzyska, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-06-17
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Inosine 5'-monophosphate dehydrogenase from Vibrio cholerae, deletion mutant, in complex with NAD and IMP
To be Published
4PZV
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BU of 4pzv by Molmil
Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D
分子名称: 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine
著者Shaw, G.X, Shi, G, Ji, X.
登録日2014-03-31
公開日2014-07-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.704 Å)
主引用文献Structural enzymology and inhibition of the bi-functional folate pathway enzyme HPPK-DHPS from the biowarfare agent Francisella tularensis.
Febs J., 281, 2014
3VWR
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BU of 3vwr by Molmil
Crystal structure of 6-aminohexanoate-dimer hydrolase S112A/G181D/R187G/H266N/D370Y mutant complexd with 6-aminohexanoate
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-AMINOHEXANOIC ACID, 6-aminohexanoate-dimer hydrolase, ...
著者Kawashima, Y, Shibata, N, Negoro, S, Higuchi, Y.
登録日2012-08-30
公開日2013-10-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural, kinetic and theoretical analyses of hydrolase mutants altering in the directionality and equilibrium point of reversible amide-synthetic/hydrolytic reaction
To be Published
4PW0
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BU of 4pw0 by Molmil
Alpha/beta hydrolase fold protein from Chitinophaga pinensis
分子名称: Alpha/beta hydrolase fold protein, CHLORIDE ION
著者Osipiuk, J, Tesar, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-03-18
公開日2014-04-02
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Alpha/beta hydrolase fold protein from Chitinophaga pinensis.
To be Published
4Q09
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Crystal structure of chimeric carbonic anhydrase XII with inhibitor
分子名称: 1,2-ETHANEDIOL, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-04-01
公開日2015-01-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
J.Med.Chem., 57, 2014

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