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4RF8
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BU of 4rf8 by Molmil
Crystal structure of double-domain arginine kinase from Anthopleura japonicas in complex with ADP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, ...
著者Wang, Z, Qiao, Z, Ye, S, Zhang, R.
登録日2014-09-25
公開日2015-04-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure of a double-domain phosphagen kinase reveals an asymmetric arrangement of the tandem domains.
Acta Crystallogr.,Sect.D, 71, 2015
4RF7
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BU of 4rf7 by Molmil
Crystal structure of double-domain arginine kinase from Anthopleura japonicas in complex with substrate L-arginine
分子名称: ACETATE ION, ARGININE, Arginine kinase
著者Wang, Z, Qiao, Z, Ye, S, Zhang, R.
登録日2014-09-25
公開日2015-04-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of a double-domain phosphagen kinase reveals an asymmetric arrangement of the tandem domains.
Acta Crystallogr.,Sect.D, 71, 2015
1SSN
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BU of 1ssn by Molmil
STAPHYLOKINASE, SAKSTAR VARIANT, NMR, 20 STRUCTURES
分子名称: STAPHYLOKINASE
著者Ohlenschlager, O, Ramachandran, R, Guhrs, K.H, Schlott, B, Brown, L.R.
登録日1998-06-07
公開日1998-12-02
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Nuclear magnetic resonance solution structure of the plasminogen-activator protein staphylokinase.
Biochemistry, 37, 1998
1T1J
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BU of 1t1j by Molmil
Crystal structure of genomics APC5043
分子名称: hypothetical protein
著者Dong, A, Xu, X, Liu, Y, Zhang, R, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG)
登録日2004-04-16
公開日2004-08-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Conserved Hypothetical Protein PA1492 from Pseudomonas aeruginosa
TO BE PUBLISHED
7SOM
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BU of 7som by Molmil
Ciliary C2 central pair apparatus isolated from Chlamydomonas reinhardtii
分子名称: Cilia- and flagella-associated protein 20, FAP147, FAP178, ...
著者Gui, M, Wang, X, Dutcher, S.K, Brown, A, Zhang, R.
登録日2021-11-01
公開日2022-04-13
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Ciliary central apparatus structure reveals mechanisms of microtubule patterning.
Nat.Struct.Mol.Biol., 29, 2022
7SQC
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BU of 7sqc by Molmil
Ciliary C1 central pair apparatus isolated from Chlamydomonas reinhardtii
分子名称: ADENOSINE-5'-DIPHOSPHATE, CPC1, Calmodulin, ...
著者Gui, M, Wang, X, Dutcher, S.K, Brown, A, Zhang, R.
登録日2021-11-05
公開日2022-04-13
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Ciliary central apparatus structure reveals mechanisms of microtubule patterning.
Nat.Struct.Mol.Biol., 29, 2022
3ECR
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BU of 3ecr by Molmil
Structure of human porphobilinogen deaminase
分子名称: 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase
著者Song, G, Li, Y, Cheng, C, Zhao, Y, Gao, A, Zhang, R, Joachimiak, A, Shaw, N, Liu, Z.J.
登録日2008-09-01
公開日2008-09-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.182 Å)
主引用文献Structural insight into acute intermittent porphyria.
Faseb J., 23, 2009
8XGK
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BU of 8xgk by Molmil
Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Ihhibitors
分子名称: (2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ...
著者Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K.
登録日2023-12-15
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors.
J.Med.Chem., 67, 2024
8XGV
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BU of 8xgv by Molmil
Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction (PPI) Inhibitors
分子名称: (2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ...
著者Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K.
登録日2023-12-15
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors.
J.Med.Chem., 67, 2024
6IF3
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BU of 6if3 by Molmil
Complex structure of Rab35 and its effector ACAP2
分子名称: Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 2, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Lin, L, Zhu, J, Zhang, R.
登録日2018-09-18
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rab35/ACAP2 and Rab35/RUSC2 Complex Structures Reveal Molecular Basis for Effector Recognition by Rab35 GTPase.
Structure, 27, 2019
6JDY
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BU of 6jdy by Molmil
Ligand complex structure of GH10 family xylanase XynAF1, soaking for 120 minutes
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, ...
著者Li, G, Miao, Y, Zhang, R.
登録日2019-02-02
公開日2020-05-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of GH10 family xylanase XynAF1 from Aspergillus fumigatus Z5
To Be Published
6J4C
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BU of 6j4c by Molmil
Crystal structure of MarH, an epimerase for biosynthesis of Maremycins in Streptomyces, under 10 mM ZnSO4
分子名称: ACETIC ACID, Cupin superfamily protein, GLYCEROL, ...
著者Hou, Y, Liu, B, Hu, K, Zhang, R.
登録日2019-01-08
公開日2020-01-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural basis of the mechanism of beta-methyl epimerization by enzyme MarH.
Org.Biomol.Chem., 17, 2019
7N3O
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BU of 7n3o by Molmil
Cryo-EM structure of the Cas12k-sgRNA complex
分子名称: Cas12k, Single guide RNA
著者Chang, L, Li, Z, Xiao, R, Wang, S, Han, R.
登録日2021-06-01
公開日2021-09-01
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis of target DNA recognition by CRISPR-Cas12k for RNA-guided DNA transposition.
Mol.Cell, 81, 2021
7N3P
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BU of 7n3p by Molmil
Cryo-EM structure of the Cas12k-sgRNA-dsDNA complex
分子名称: Cas12k, DNA (5'-D(*CP*AP*TP*GP*AP*CP*TP*TP*CP*TP*CP*AP*AP*CP*CP*GP*AP*GP*TP*TP*T)-3'), DNA (5'-D(P*AP*AP*AP*CP*TP*CP*GP*GP*TP*T)-3'), ...
著者Chang, L, Li, Z, Xiao, R, Wang, S, Han, R.
登録日2021-06-01
公開日2021-09-01
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献Structural basis of target DNA recognition by CRISPR-Cas12k for RNA-guided DNA transposition.
Mol.Cell, 81, 2021
5WWP
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BU of 5wwp by Molmil
Crystal structure of Middle East respiratory syndrome coronavirus helicase (MERS-CoV nsp13)
分子名称: ORF1ab, SULFATE ION, ZINC ION
著者Hao, W, Wojdyla, J.A, Zhao, R, Han, R, Das, R, Zlatev, I, Manoharan, M, Wang, M, Cui, S.
登録日2017-01-03
公開日2017-07-05
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of Middle East respiratory syndrome coronavirus helicase
PLoS Pathog., 13, 2017
1WAR
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BU of 1war by Molmil
Recombinant Human Purple Acid Phosphatase expressed in Pichia Pastoris
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, HUMAN PURPLE ACID PHOSPHATASE, ...
著者Duff, A.P, Langley, D.B, Han, R, Averill, B.A, Freeman, H.C, Guss, J.M.
登録日2004-10-28
公開日2005-07-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal Structures of Recombinant Human Purple Acid Phosphatase with and without an Inhibitory Conformation of the Repression Loop.
J.Mol.Biol., 351, 2005
1QFD
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BU of 1qfd by Molmil
NMR SOLUTION STRUCTURE OF ALPHA-AMYLASE INHIBITOR (AAI)
分子名称: PROTEIN (ALPHA-AMYLASE INHIBITOR)
著者Lu, S, Deng, P, Liu, X, Luo, J, Han, R, Gu, X, Liang, S, Wang, X, Feng, L, Lozanov, V, Patthy, A, Pongor, S.
登録日1999-04-08
公開日1999-07-16
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of the major alpha-amylase inhibitor of the crop plant amaranth.
J.Biol.Chem., 274, 1999
4TKN
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BU of 4tkn by Molmil
Structure of the SNX17 FERM domain bound to the second NPxF motif of KRIT1
分子名称: Krev interaction trapped protein 1, Sorting nexin-17
著者Stiegler, A.L, Zhang, R, Liu, W, Boggon, T.J.
登録日2014-05-27
公開日2014-07-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Determinants for Binding of Sorting Nexin 17 (SNX17) to the Cytoplasmic Adaptor Protein Krev Interaction Trapped 1 (KRIT1).
J.Biol.Chem., 289, 2014
4TVQ
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BU of 4tvq by Molmil
CCM3 in complex with CCM2 LD-like motif
分子名称: Cerebral cavernous malformations 2 protein, Cerebral cavernous malformations 3 protein
著者Li, X, Zhang, R, Fisher, O.S, Boggon, T.J.
登録日2014-06-27
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献CCM2-CCM3 interaction stabilizes their protein expression and permits endothelial network formation.
J.Cell Biol., 208, 2015
2OC8
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BU of 2oc8 by Molmil
Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH503034
分子名称: BETA-MERCAPTOETHANOL, Hepatitis C virus, ZINC ION, ...
著者Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R.S, Arasappan, A, Bennett, F, Bogen, S.L, Chen, K, Jao, E, Liu, Y.T, Lovey, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
登録日2006-12-20
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
7P5U
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BU of 7p5u by Molmil
Neuropilin-b1 in a complex with a VEGFB-derived peptide
分子名称: MGC0122, Neuropilin-1
著者Fotinou, C, Rhana, R, Yelland, T.
登録日2021-07-14
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Neuropilin-b1 in a complex with a VEGFB-derived peptide
To Be Published
5V9U
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BU of 5v9u by Molmil
Crystal Structure of small molecule ARS-1620 covalently bound to K-Ras G12C
分子名称: (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ...
著者Janes, M.R, Zhang, J, Li, L.-S, Hansen, R, Peters, U, Guo, X, Chen, Y, Babbar, A, Firdaus, S.J, Feng, J, Chen, J.H, Li, S, Brehmer, D, Darjania, L, Li, S, Long, Y.O, Thach, C, Liu, Y, Zarieh, A, Ely, T, Kucharski, J.M, Kessler, L.V, Wu, T, Wang, Y, Yao, Y, Deng, X, Zarrinkar, P, Dashyant, D, Lorenzi, M.V, Hu-Lowe, D, Patricelli, M.P, Ren, P, Liu, Y.
登録日2017-03-23
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
2OC1
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Structure of the HCV NS3/4A Protease Inhibitor CVS4819
分子名称: (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI C ACID, Hepatitis C virus, ZINC ION
著者Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
登録日2006-12-20
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2OBO
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BU of 2obo by Molmil
Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776
分子名称: BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ...
著者Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
登録日2006-12-19
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2OBQ
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BU of 2obq by Molmil
Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization
分子名称: Hepatitis C virus, ZINC ION
著者Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
登録日2006-12-19
公開日2007-07-31
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007

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