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6A3N
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BU of 6a3n by Molmil
Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2
Descriptor: 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
Authors:Wu, Y.N, Zhou, Q, Chen, Y.P, Luo, H.B.
Deposit date:2018-06-15
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia.
J. Med. Chem., 62, 2019
5GUT
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BU of 5gut by Molmil
The crystal structure of mouse DNMT1 (731-1602) mutant - N1248A
Descriptor: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Chen, S.J, Ye, F.
Deposit date:2016-08-31
Release date:2017-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
5GUV
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BU of 5guv by Molmil
The crystal structure of mouse DNMT1 (731-1602) mutant - R1279D
Descriptor: DNA (cytosine-5)-methyltransferase 1, ZINC ION
Authors:Ye, F, Chen, S.J.
Deposit date:2016-08-31
Release date:2017-08-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.078 Å)
Cite:Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
4XH7
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BU of 4xh7 by Molmil
Crystal structure of MUPP1 PDZ4
Descriptor: IMIDAZOLE, Multiple PDZ domain protein
Authors:Liu, Z, Zhu, H, Liu, W.
Deposit date:2015-01-05
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Biochemical and structural characterization of MUPP1-PDZ4 domain from Mus musculus.
Acta Biochim.Biophys.Sin., 47, 2015
8IYX
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BU of 8iyx by Molmil
Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365
Descriptor: 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365
Authors:Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M.
Deposit date:2023-04-06
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JYS
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BU of 8jys by Molmil
SARS-CoV-2 Spike RBD (dimer) in complex with two 2S-1244 nanobodies
Descriptor: IBT-CoV144 nanobody, Spike protein S1
Authors:Yang, Y, Zhang, C.H.
Deposit date:2023-07-03
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:A novel nanobody broadly neutralizes SARS-CoV-2 via induction of spike trimer dimers conformation.
Exploration (Beijing), 4, 2024
7KN3
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BU of 7kn3 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-B8 Fab
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, S-B8 Fab heavy chain, ...
Authors:Liu, H, Zhu, X, Wilson, I.A.
Deposit date:2020-11-04
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
7KN4
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BU of 7kn4 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-E6 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S-E6 Fab heavy chain, S-E6 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2020-11-04
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
5WWO
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BU of 5wwo by Molmil
Crystal structure of Enp1
Descriptor: Essential nuclear protein 1, Protein LTV1
Authors:Ye, K, Zhang, W.
Deposit date:2017-01-03
Release date:2017-06-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017
3ET2
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BU of 3et2 by Molmil
Structure of PPARdelta with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid
Descriptor: 1-BUTANOL, 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid, Peroxisome proliferator-activated receptor delta
Authors:Zhang, K.Y.J, Wang, W.
Deposit date:2008-10-06
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
3N94
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BU of 3n94 by Molmil
Crystal structure of human pituitary adenylate cyclase 1 Receptor-short N-terminal extracellular domain
Descriptor: Fusion protein of Maltose-binding periplasmic protein and pituitary adenylate cyclase 1 Receptor-short, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Kumar, S, Pioszak, A.A, Swaminathan, K, Xu, H.E.
Deposit date:2010-05-28
Release date:2011-06-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the PAC1R Extracellular Domain Unifies a Consensus Fold for Hormone Recognition by Class B G-Protein Coupled Receptors.
Plos One, 6, 2011
3NPZ
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BU of 3npz by Molmil
Prolactin Receptor (PRLR) Complexed with the Natural Hormone (PRL)
Descriptor: Prolactin, Prolactin receptor
Authors:Van Agthoven, J, England, P, Goffin, V, Broutin, I.
Deposit date:2010-06-29
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structural characterization of the stem-stem dimerization interface between prolactin receptor chains complexed with the natural hormone.
J.Mol.Biol., 404, 2010
6LN1
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BU of 6ln1 by Molmil
A natural inhibitor of DYRK1A for treatment of diabetes mellitus
Descriptor: 1,3,5,8-tetrakis(oxidanyl)xanthen-9-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Li, H, Chen, L.X, Zheng, M.Z, Zhang, Q.Z, Zhang, C.L, Wu, C.R, Yang, K.Y, Song, Z.R, Wang, Q.Q, Li, C, Zhou, Y.R, Chen, J.C.
Deposit date:2019-12-28
Release date:2021-10-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.699 Å)
Cite:A natural DYRK1A inhibitor as a potential stimulator for beta-cell proliferation in diabetes.
Clin Transl Med, 11, 2021
6U0S
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BU of 6u0s by Molmil
Crystal structure of the flavin-dependent monooxygenase PieE in complex with FAD and substrate
Descriptor: 2,4-dichlorophenol 6-monooxygenase, 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol, CHLORIDE ION, ...
Authors:Shi, R, Manenda, M.
Deposit date:2019-08-14
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structural analyses of the Group A flavin-dependent monooxygenase PieE reveal a sliding FAD cofactor conformation bridging OUT and IN conformations.
J.Biol.Chem., 295, 2020
6U0P
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BU of 6u0p by Molmil
Crystal structure of PieE, the flavin-dependent monooxygenase involved in the biosynthesis of piericidin A1
Descriptor: 2,4-dichlorophenol 6-monooxygenase, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Shi, R, Manenda, M, Picard, M.-E.
Deposit date:2019-08-14
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural analyses of the Group A flavin-dependent monooxygenase PieE reveal a sliding FAD cofactor conformation bridging OUT and IN conformations.
J.Biol.Chem., 295, 2020
5WYK
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BU of 5wyk by Molmil
Cryo-EM structure of the 90S small subunit pre-ribosome (Mtr4-depleted, Enp1-TAP)
Descriptor: 13 kDa ribonucleoprotein-associated protein, 18S ribosomal RNA, 40S ribosomal protein S1-A, ...
Authors:Ye, K, Zhu, X, Sun, Q.
Deposit date:2017-01-13
Release date:2017-03-29
Last modified:2017-05-17
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Molecular architecture of the 90S small subunit pre-ribosome.
Elife, 6, 2017
5WWM
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BU of 5wwm by Molmil
Crystal structure of the TPR domain of Rrp5
Descriptor: SULFATE ION, rRNA biogenesis protein RRP5
Authors:Ye, K, Chen, X.
Deposit date:2017-01-03
Release date:2017-01-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.809 Å)
Cite:Correction: Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017
5WYL
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BU of 5wyl by Molmil
Crystal structure of Chaetomium thermophilum Utp10 N-terminal domain in complex with Utp17 C-terminal helices
Descriptor: Putative uncharacterized protein
Authors:Chen, R, Zhu, X, Ye, K.
Deposit date:2017-01-13
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.638 Å)
Cite:Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017
5WY3
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BU of 5wy3 by Molmil
Crystal structure of Chaetomium thermophilum Utp10 middle domain
Descriptor: Putative uncharacterized protein
Authors:Chen, R, Zhu, X, Ye, K.
Deposit date:2017-01-10
Release date:2017-06-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017
6P7G
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BU of 6p7g by Molmil
The co-crystal structure of BRAF(V600E) with PHI1
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide, Serine/threonine-protein kinase B-raf
Authors:Agianian, B, Gavathiotis, E.
Deposit date:2019-06-05
Release date:2020-09-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Inhibitors of BRAF dimers using an allosteric site.
Nat Commun, 11, 2020
6P3D
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BU of 6p3d by Molmil
The co-crystal structure of BRAF(V600E) with ponatinib
Descriptor: 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, AMMONIUM ION, ...
Authors:Agianian, B, Gavathiotis, E.
Deposit date:2019-05-23
Release date:2020-09-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Inhibitors of BRAF dimers using an allosteric site.
Nat Commun, 11, 2020
3ET0
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BU of 3et0 by Molmil
Structure of PPARgamma with 3-(5-Methoxy-1H-indol-3-yl)-propionic acid
Descriptor: 3-(5-methoxy-1H-indol-3-yl)propanoic acid, Peroxisome proliferator-activated receptor gamma, alpha-D-glucopyranose
Authors:Zhang, K.Y.J, Wang, W.
Deposit date:2008-10-06
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
3ET1
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BU of 3et1 by Molmil
Structure of PPARalpha with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid
Descriptor: 3-{5-methoxy-1-[(4-methoxyphenyl)sulfonyl]-1H-indol-3-yl}propanoic acid, Peroxisome proliferator-activated receptor alpha, Steroid receptor coactivator 1
Authors:Zhang, K.Y.J, Wang, W.
Deposit date:2008-10-06
Release date:2009-02-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent
Proc.Natl.Acad.Sci.USA, 106, 2009
4ZBN
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BU of 4zbn by Molmil
Non-helical DNA Triplex Forms a Unique Aptamer Scaffold for High Affinity Recognition of Nerve Growth Factor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-nerve growth factor, DNA (28-MER)
Authors:Davies, D.R, Edwards, T.E.
Deposit date:2015-04-15
Release date:2015-06-10
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.447 Å)
Cite:Non-helical DNA Triplex Forms a Unique Aptamer Scaffold for High Affinity Recognition of Nerve Growth Factor.
Structure, 23, 2015
5WWN
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BU of 5wwn by Molmil
Crystal structure of Tsr1
Descriptor: Ribosome biogenesis protein TSR1, SULFATE ION
Authors:Ye, K, Wang, B.
Deposit date:2017-01-03
Release date:2017-06-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017

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數據於2024-10-09公開中

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