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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
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, ...
Authors:Wang, Z, Qiao, Z, Ye, S, Zhang, R.
Deposit date:2014-09-25
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite: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
Descriptor: ACETATE ION, ARGININE, Arginine kinase
Authors:Wang, Z, Qiao, Z, Ye, S, Zhang, R.
Deposit date:2014-09-25
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: STAPHYLOKINASE
Authors:Ohlenschlager, O, Ramachandran, R, Guhrs, K.H, Schlott, B, Brown, L.R.
Deposit date:1998-06-07
Release date:1998-12-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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
Descriptor: hypothetical protein
Authors:Dong, A, Xu, X, Liu, Y, Zhang, R, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-04-16
Release date:2004-08-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: Cilia- and flagella-associated protein 20, FAP147, FAP178, ...
Authors:Gui, M, Wang, X, Dutcher, S.K, Brown, A, Zhang, R.
Deposit date:2021-11-01
Release date:2022-04-13
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CPC1, Calmodulin, ...
Authors:Gui, M, Wang, X, Dutcher, S.K, Brown, A, Zhang, R.
Deposit date:2021-11-05
Release date:2022-04-13
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite: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
Descriptor: 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase
Authors:Song, G, Li, Y, Cheng, C, Zhao, Y, Gao, A, Zhang, R, Joachimiak, A, Shaw, N, Liu, Z.J.
Deposit date:2008-09-01
Release date:2008-09-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.182 Å)
Cite: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
Descriptor: (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, ...
Authors: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.
Deposit date:2023-12-15
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.32 Å)
Cite: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
Descriptor: (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, ...
Authors: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.
Deposit date:2023-12-15
Release date:2024-05-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite: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
Descriptor: Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 2, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Lin, L, Zhu, J, Zhang, R.
Deposit date:2018-09-18
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, ...
Authors:Li, G, Miao, Y, Zhang, R.
Deposit date:2019-02-02
Release date:2020-05-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: ACETIC ACID, Cupin superfamily protein, GLYCEROL, ...
Authors:Hou, Y, Liu, B, Hu, K, Zhang, R.
Deposit date:2019-01-08
Release date:2020-01-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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
Descriptor: Cas12k, Single guide RNA
Authors:Chang, L, Li, Z, Xiao, R, Wang, S, Han, R.
Deposit date:2021-06-01
Release date:2021-09-01
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite: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
Descriptor: 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'), ...
Authors:Chang, L, Li, Z, Xiao, R, Wang, S, Han, R.
Deposit date:2021-06-01
Release date:2021-09-01
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite: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)
Descriptor: ORF1ab, SULFATE ION, ZINC ION
Authors:Hao, W, Wojdyla, J.A, Zhao, R, Han, R, Das, R, Zlatev, I, Manoharan, M, Wang, M, Cui, S.
Deposit date:2017-01-03
Release date:2017-07-05
Last modified:2021-09-15
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, HUMAN PURPLE ACID PHOSPHATASE, ...
Authors:Duff, A.P, Langley, D.B, Han, R, Averill, B.A, Freeman, H.C, Guss, J.M.
Deposit date:2004-10-28
Release date:2005-07-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.22 Å)
Cite: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)
Descriptor: PROTEIN (ALPHA-AMYLASE INHIBITOR)
Authors:Lu, S, Deng, P, Liu, X, Luo, J, Han, R, Gu, X, Liang, S, Wang, X, Feng, L, Lozanov, V, Patthy, A, Pongor, S.
Deposit date:1999-04-08
Release date:1999-07-16
Last modified:2023-12-27
Method:SOLUTION NMR
Cite: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
Descriptor: Krev interaction trapped protein 1, Sorting nexin-17
Authors:Stiegler, A.L, Zhang, R, Liu, W, Boggon, T.J.
Deposit date:2014-05-27
Release date:2014-07-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: Cerebral cavernous malformations 2 protein, Cerebral cavernous malformations 3 protein
Authors:Li, X, Zhang, R, Fisher, O.S, Boggon, T.J.
Deposit date:2014-06-27
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: BETA-MERCAPTOETHANOL, Hepatitis C virus, ZINC ION, ...
Authors: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.
Deposit date:2006-12-20
Release date:2007-07-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.66 Å)
Cite: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
Descriptor: MGC0122, Neuropilin-1
Authors:Fotinou, C, Rhana, R, Yelland, T.
Deposit date:2021-07-14
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, CALCIUM ION, GLYCEROL, ...
Authors: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.
Deposit date:2017-03-23
Release date:2018-02-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Targeting KRAS Mutant Cancers with a Covalent G12C-Specific Inhibitor.
Cell, 172, 2018
2OC1
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BU of 2oc1 by Molmil
Structure of the HCV NS3/4A Protease Inhibitor CVS4819
Descriptor: (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
Authors: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.
Deposit date:2006-12-20
Release date:2007-07-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ...
Authors: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.
Deposit date:2006-12-19
Release date:2007-07-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Hepatitis C virus, ZINC ION
Authors: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.
Deposit date:2006-12-19
Release date:2007-07-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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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數據於2024-07-24公開中

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