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1E18
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BU of 1e18 by Molmil
TUNGSTEN-SUSBSTITUTED DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DMSO REDUCTASE., ETHANOL, ...
著者Bailey, S, Stewart, L.J.
登録日2000-04-28
公開日2000-06-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dimethylsulfoxide Reductase: An Enzyme Capable of Catalysis with Either Molybdenum or Tungsten at the Active Site
J.Mol.Biol., 299, 2000
5DG5
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BU of 5dg5 by Molmil
CRYSTAL STRUCTURE OF THE TYROSINE KINASE DOMAIN OF THE HEPATOCYTE GROWTH FACTOR RECEPTOR C-MET IN COMPLEX WITH ALTIRATINIB ANALOG DP-4157
分子名称: Hepatocyte growth factor receptor, N-(2,5-difluoro-4-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxam ide
著者Smith, B.D, Kaufman, M.D, Leary, C.B, Turner, B.A, Wise, S.A, Ahn, Y.M, Booth, R.J, Caldwell, T.M, Ensinger, C.L, Hood, M.M, Lu, W.-P, Patt, T.W, Patt, W.C, Rutkoski, T.J, Samarakoon, T, Telikepalli, H, Vogeti, L, Vogeti, S, Yates, K.M, Chun, L, Stewart, L.J, Clare, M, Flynn, D.L.
登録日2015-08-27
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Altiratinib Inhibits Tumor Growth, Invasion, Angiogenesis, and Microenvironment-Mediated Drug Resistance via Balanced Inhibition of MET, TIE2, and VEGFR2.
Mol.Cancer Ther., 14, 2015
1K4T
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BU of 1k4t by Molmil
HUMAN DNA TOPOISOMERASE I (70 KDA) IN COMPLEX WITH THE POISON TOPOTECAN AND COVALENT COMPLEX WITH A 22 BASE PAIR DNA DUPLEX
分子名称: (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID, 5'-D(*(TGP)P*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', ...
著者Staker, B.L, Hjerrild, K, Feese, M.D, Behnke, C.A, Burgin Jr, A.B, Stewart, L.J.
登録日2001-10-08
公開日2002-12-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The mechanism of topoisomerase I poisoning by a camptothecin analog
Proc.Natl.Acad.Sci.USA, 99, 2002
1K4S
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BU of 1k4s by Molmil
HUMAN DNA TOPOISOMERASE I IN COVALENT COMPLEX WITH A 22 BASE PAIR DNA DUPLEX
分子名称: 5'-D(*(SPT)P*GP*AP*AP*AP*AP*AP*(5IU)P*(5IU)P*(5IU)P*(5IU)P*T)-3', 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*(5IU)P*(5IU))-3', 5'-D(*AP*AP*AP*AP*AP*TP*(IDO)UP*(IDO)UP*(IDO)UP*(IDO)UP*CP*AP*AP*AP*GP*(IDO)UP*CP*(IDO)UP*(IDO)UP*(IDO)UP*(IDO)UP*T)-3', ...
著者Staker, B.L, Hjerrild, K, Feese, M.D, Behnke, C.A, Burgin Jr, A.B, Stewart, L.J.
登録日2001-10-08
公開日2002-12-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The mechanism of topoisomerase I poisoning by a camptothecin analog
Proc.Natl.Acad.Sci.USA, 99, 2002
3QRJ
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BU of 3qrj by Molmil
The crystal structure of human abl1 kinase domain T315I mutant in complex with DCC-2036
分子名称: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, Tyrosine-protein kinase ABL1
著者Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
登録日2011-02-18
公開日2011-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
3QRK
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BU of 3qrk by Molmil
The crystal structure of human abl1 kinase domain in complex with DP-987
分子名称: (3S)-6-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, Tyrosine-protein kinase ABL1
著者Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
登録日2011-02-18
公開日2011-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
3QRI
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BU of 3qri by Molmil
The crystal structure of human abl1 kinase domain in complex with DCC-2036
分子名称: 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, SODIUM ION, Tyrosine-protein kinase ABL1
著者Chan, W.W, Wise, S.C, Kaufman, M.D, Ahn, Y.M, Ensinger, C.L, Haack, T, Hood, M.M, Jones, J, Lord, J.W, Lu, W.P, Miller, D, Patt, W.C, Smith, B.D, Petillo, P.A, Rutkoski, T.J, Telikepalli, H, Vogeti, L, Yao, T, Chun, L, Clark, R, Evangelista, P, Gavrilescu, L.C, Lazarides, K, Zaleskas, V.M, Stewart, L.J, Van Etten, R.A, Flynn, D.L.
登録日2011-02-18
公開日2011-06-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
Cancer Cell, 19, 2011
3IFT
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BU of 3ift by Molmil
Crystal structure of glycine cleavage system protein H from Mycobacterium tuberculosis, using X-rays from the Compact Light Source.
分子名称: Glycine cleavage system H protein
著者Edwards, T.E, Abendroth, J, Staker, B, Mayer, C, Phan, I, Kelley, A, Analau, E, Leibly, D, Rifkin, J, Loewen, R, Ruth, R.D, Stewart, L.J, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D)
登録日2009-07-25
公開日2009-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure determination of the glycine cleavage system protein H of Mycobacterium tuberculosis using an inverse Compton synchrotron X-ray source.
J.Struct.Funct.Genom., 11, 2010
3EIY
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BU of 3eiy by Molmil
Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound pyrophosphate
分子名称: DI(HYDROXYETHYL)ETHER, Inorganic pyrophosphatase, POTASSIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-09-17
公開日2008-09-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The role of medical structural genomics in discovering new drugs for infectious diseases.
PLoS Comput Biol, 5, 2009
6D1N
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BU of 6d1n by Molmil
Apo structure of Bacteroides uniformis Beta-glucuronidase 1
分子名称: Beta-galactosidase/beta-glucuronidase, CHLORIDE ION, GLYCEROL
著者Walton, W.G, Pellock, S.J, Redinbo, M.R.
登録日2018-04-12
公開日2018-10-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis.
J. Biol. Chem., 293, 2018
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
3EOM
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BU of 3eom by Molmil
2.4 A crystal structure of native glutaryl-coa dehydrogenase from Burkholderia pseudomallei
分子名称: 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 (2.398 Å)
主引用文献Probing conformational states of glutaryl-CoA dehydrogenase by fragment screening.
Acta Crystallogr.,Sect.F, 67, 2011
3EK2
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BU of 3ek2 by Molmil
Crystal structure of eonyl-(acyl carrier protein) reductase from burkholderia pseudomallei 1719b
分子名称: CHLORIDE ION, Enoyl-(Acyl-carrier-protein) reductase (NADH)
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-09-18
公開日2008-09-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3EJ2
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BU of 3ej2 by Molmil
Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound 5-amino-1-(4-chlorophenyl)-1h-pyrazole-4-carbonitrile, H32 crystal form
分子名称: 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile, Inorganic pyrophosphatase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-09-17
公開日2008-09-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
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
3EZO
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BU of 3ezo by Molmil
Crystal structure of acyl-carrier-protein s-malonyltransferase from burkholderia pseudomallei 1710b
分子名称: Malonyl CoA-acyl carrier protein transacylase
著者SSGCID, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-10-23
公開日2008-11-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3DMS
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BU of 3dms by Molmil
1.65A crystal structure of isocitrate dehydrogenase from Burkholderia pseudomallei
分子名称: Isocitrate dehydrogenase [NADP]
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-07-01
公開日2008-07-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis of the substrate specificity of bifunctional isocitrate dehydrogenase kinase/phosphatase.
Biochemistry, 50, 2011
3EJ0
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BU of 3ej0 by Molmil
Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound N-(pyridin-3-ylmethyl) aniline, H32 crystal form
分子名称: Inorganic pyrophosphatase, N-(pyridin-3-ylmethyl)aniline
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2008-09-17
公開日2008-09-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The role of medical structural genomics in discovering new drugs for infectious diseases.
PLoS Comput Biol, 5, 2009
7KUW
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BU of 7kuw by Molmil
High-throughput design and refinement of stable proteins using sequence-only models
分子名称: Sequence-Based Designed Protein nmt_0994_guided_02
著者Bera, A.K, Stewart, L, Kang, A.S, Baker, D.
登録日2020-11-25
公開日2021-12-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Large-scale design and refinement of stable proteins using sequence-only models.
Plos One, 17, 2022
7LMX
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BU of 7lmx by Molmil
A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE
分子名称: Integrin inhibitor
著者Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
登録日2021-02-06
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
7LMV
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BU of 7lmv by Molmil
SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6
分子名称: Integrin inhibitor
著者Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
登録日2021-02-05
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
4O2D
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BU of 4o2d by Molmil
Crystal structure of aspartyl-tRNA synthetase from Mycobacterium smegmatis with bound aspartic acid
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ASPARTIC ACID, Aspartate--tRNA ligase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-12-17
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
6D41
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BU of 6d41 by Molmil
Bacteriodes uniformis beta-glucuronidase 1 bound to D-glucaro-1,5-lactone
分子名称: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid, Beta-galactosidase/beta-glucuronidase, CHLORIDE ION, ...
著者Walton, W.G, Pellock, S.J, Redinbo, M.R.
登録日2018-04-17
公開日2018-10-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis.
J. Biol. Chem., 293, 2018
6D50
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BU of 6d50 by Molmil
Bacteroides uniforms beta-glucuronidase 2 bound to D-glucaro-1,5-lactone
分子名称: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid, CALCIUM ION, Glycosyl hydrolases family 2, ...
著者Walton, W.G, Pellock, S.J, Redinbo, M.R.
登録日2018-04-19
公開日2018-10-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis.
J. Biol. Chem., 293, 2018
6D89
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Bacteroides uniformis beta-glucuronidase 1 with N-terminal loop deletion
分子名称: Beta-galactosidase/beta-glucuronidase, CHLORIDE ION, CITRIC ACID
著者Walton, W.G, Pellock, S.J, Redinbo, M.R.
登録日2018-04-26
公開日2018-10-17
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis.
J. Biol. Chem., 293, 2018

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