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3KC1
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BU of 3kc1 by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 19a
Descriptor: Fructose-1,6-bisphosphatase 1, {[(7-carbamoyl-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
Authors:Takahashi, M, Sone, J, Hanzawa, H.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
6IN8
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BU of 6in8 by Molmil
Crystal structure of MucB
Descriptor: Sigma factor AlgU regulatory protein MucB
Authors:Li, S, Zhang, Q, Bartlam, M.
Deposit date:2018-10-24
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Febs J., 286, 2019
2OJG
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BU of 2ojg by Molmil
Crystal structure of ERK2 in complex with N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 1, N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJI
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BU of 2oji by Molmil
Crystal structure of ERK2 in complex with N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 1, N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
2OJJ
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BU of 2ojj by Molmil
Crystal structure of ERK2 in complex with (S)-N-(1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl)-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Descriptor: (S)-N-(1-(3-CHLORO-4-FLUOROPHENYL)-2-HYDROXYETHYL)-4-(4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL)-1H-PYRROLE-2-CARBOXAMIDE, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Xie, X, Jacobs, M.D.
Deposit date:2007-01-12
Release date:2007-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Flipped Out: Structure-Guided Design of Selective Pyrazolylpyrrole ERK Inhibitors.
J.Med.Chem., 50, 2007
3OC3
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BU of 3oc3 by Molmil
Crystal structure of the Mot1 N-terminal domain in complex with TBP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HELICASE MOT1, TRANSCRIPTION INITIATION FACTOR TFIID (TFIID-1)
Authors:Wollmann, P, Cui, S, Viswanathan, R, Berninghausen, O, Wells, M.N, Moldt, M, Witte, G, Butryn, A, Wendler, P, Beckmann, R, Auble, D.T, Hopfner, K.-P.
Deposit date:2010-08-09
Release date:2011-07-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure and mechanism of the Swi2/Snf2 remodeller Mot1 in complex with its substrate TBP.
Nature, 475, 2011
3OCI
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BU of 3oci by Molmil
Crystal structure of TBP (TATA box binding protein)
Descriptor: 1,2-ETHANEDIOL, TRANSCRIPTION INITIATION FACTOR TFIID (TFIID-1)
Authors:Cui, S, Wollmann, P, Moldt, M, Hopfner, K.-P.
Deposit date:2010-08-10
Release date:2011-07-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Structure and mechanism of the Swi2/Snf2 remodeller Mot1 in complex with its substrate TBP.
Nature, 475, 2011
5KPN
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BU of 5kpn by Molmil
Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
Descriptor: 1-[[4-fluoranyl-3-(3-oxidanylidene-4-propyl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1
Authors:Cao, R, Wang, Y.L, Zhou, J, Yao, H.P, Huang, N, Xu, B.L.
Deposit date:2016-07-05
Release date:2016-12-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
6M3D
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BU of 6m3d by Molmil
X-ray crystal structure of tandemly connected engrailed homeodomains (EHD) with R53A mutations and DNA complex
Descriptor: DNA (5'-D(*GP*GP*AP*TP*TP*AP*GP*GP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*TP*CP*CP*TP*AP*AP*TP*CP*C)-3'), SODIUM ION, ...
Authors:Sunami, T, Hirano, Y, Tamada, T, Kono, H.
Deposit date:2020-03-03
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for designing an array of engrailed homeodomains.
Acta Crystallogr D Struct Biol, 76, 2020
7Y67
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BU of 7y67 by Molmil
Cryo-EM structure of C089-bound C5aR1(I116A) mutant in complex with Gi protein
Descriptor: C089 peptide, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H.
Deposit date:2022-06-18
Release date:2023-03-01
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
7Y65
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BU of 7y65 by Molmil
Cryo-EM structure of C5a peptide-bound C5aR1 in complex with Gi protein
Descriptor: C5a anaphylatoxin chemotactic receptor 1, C5apep peptide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H.
Deposit date:2022-06-18
Release date:2023-03-01
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
7Y66
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BU of 7y66 by Molmil
Cryo-EM structure of BM213-bound C5aR1 in complex with Gi protein
Descriptor: BM213 peptide, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H.
Deposit date:2022-06-18
Release date:2023-03-01
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
7Y64
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BU of 7y64 by Molmil
Cryo-EM structure of C5a-bound C5aR1 in complex with Gi protein
Descriptor: C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Feng, Y.Y, Zhao, C, Yan, W, Shao, Z.H.
Deposit date:2022-06-18
Release date:2023-03-01
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Mechanism of activation and biased signaling in complement receptor C5aR1.
Cell Res., 33, 2023
6MEV
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BU of 6mev by Molmil
Structure of JMJD6 bound to Mono-Methyl Arginine.
Descriptor: (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, ...
Authors:Lee, S, Zhang, G.
Deposit date:2018-09-07
Release date:2019-09-18
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:JMJD6 cleaves MePCE to release positive transcription elongation factor b (P-TEFb) in higher eukaryotes.
Elife, 9, 2020
7YLW
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BU of 7ylw by Molmil
yeast TRiC-plp2-tubulin complex at S3 closed TRiC state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Han, W.Y.
Deposit date:2022-07-27
Release date:2023-03-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Structural basis of plp2-mediated cytoskeletal protein folding by TRiC/CCT.
Sci Adv, 9, 2023
4OPN
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BU of 4opn by Molmil
Crystal structure of mouse glyoxalase I complexed with mAH
Descriptor: L-gamma-glutamyl-N-(3-ethynylphenyl)-N-hydroxy-L-glutaminylglycine, Lactoylglutathione lyase, ZINC ION
Authors:Zhai, J, Zhang, L, Yuan, M, Zhang, H.
Deposit date:2014-02-06
Release date:2015-02-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Reversible Inhibition of Glyoxalase I: Synthesis and Activity Evaluation
To be Published
3C9K
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BU of 3c9k by Molmil
Model of Histone Octamer Tubular Crystals
Descriptor: Histone H2A-IV, Histone H2B 7, Histone H3.2, ...
Authors:Frouws, T.D.
Deposit date:2008-02-16
Release date:2009-01-06
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Histone octamer helical tubes suggest that an internucleosomal four-helix bundle stabilizes the chromatin fiber
Biophys.J., 96, 2009
7JPP
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BU of 7jpp by Molmil
ORC-O2WH: Human Origin Recognition Complex (ORC) with dynamic/unresolved ORC1 AAA+ domain
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Origin recognition complex subunit 1, ...
Authors:Jaremko, M.J, Joshua-Tor, L.
Deposit date:2020-08-09
Release date:2020-09-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The dynamic nature of the human Origin Recognition Complex revealed through five cryoEM structures.
Elife, 9, 2020
8JZZ
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BU of 8jzz by Molmil
Structure of human C5a-desArg bound human C5aR1 in complex with Go
Descriptor: Antibody fragment ScFv16, C5a anaphylatoxin, C5a anaphylatoxin chemotactic receptor 1, ...
Authors:Yadav, M.K, Yadav, R, Maharana, J, Sarma, P, Banerjee, R, Shukla, A.K, Gati, C.
Deposit date:2023-07-06
Release date:2023-10-18
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors.
Cell, 186, 2023
6LU5
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BU of 6lu5 by Molmil
Crystal structure of BPTF-BRD with ligand DCBPin5 bound
Descriptor: 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
Authors:Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
Deposit date:2020-01-25
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86527729 Å)
Cite:Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
6LU6
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BU of 6lu6 by Molmil
Crystal structure of BPTF-BRD with ligand DCBPin5-2 bound
Descriptor: 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine, Nucleosome-remodeling factor subunit BPTF
Authors:Lu, T, Lu, H.B, Wang, J, Lin, H, Lu, W, Luo, C.
Deposit date:2020-01-26
Release date:2021-04-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.970063 Å)
Cite:Discovery and Optimization of Small-Molecule Inhibitors for the BPTF Bromodomains Proteins
To Be Published
6MGN
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BU of 6mgn by Molmil
mouse Id1 (51-104) - human hE47 (348-399) complex
Descriptor: DNA-binding protein inhibitor ID-1, Transcription factor E2-alpha
Authors:Benezra, R, Pavletich, N.P, Gall, A.-L, Goldgur, Y.
Deposit date:2018-09-14
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:A Small-Molecule Pan-Id Antagonist Inhibits Pathologic Ocular Neovascularization.
Cell Rep, 29, 2019
6MGM
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BU of 6mgm by Molmil
Helix-Loop-helix motif of mouse DNA-binding protein inhibitor ID-1
Descriptor: DNA-binding protein inhibitor ID-1
Authors:Benezra, R, Pavletich, N.P, Goldgur, Y, Gall, A.-L.
Deposit date:2018-09-14
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:A Small-Molecule Pan-Id Antagonist Inhibits Pathologic Ocular Neovascularization.
Cell Rep, 29, 2019
5FN2
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BU of 5fn2 by Molmil
Cryo-EM structure of gamma secretase in complex with a drug DAPT
Descriptor: Gamma-secretase subunit APH-1A, Gamma-secretase subunit PEN-2, Nicastrin, ...
Authors:Bai, X.C, Rajendra, E, Yang, G.H, Shi, Y.G, Scheres, S.H.W.
Deposit date:2015-11-10
Release date:2015-12-16
Last modified:2019-09-04
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Sampling the conformational space of the catalytic subunit of human gamma-secretase.
Elife, 4, 2015
8H05
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BU of 8h05 by Molmil
Minor polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a postmortal Parkinson's disease patient
Descriptor: Alpha-synuclein
Authors:Fan, Y, Sun, Y.P, Wang, J, Liu, C.
Deposit date:2022-09-28
Release date:2022-11-30
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023

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