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6NPU
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BU of 6npu by Molmil
C-abl Kinase domain with the activator(cmpd29), N-(1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)acetamide
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
Authors:Campobasso, N.
Deposit date:2019-01-18
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPV
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BU of 6npv by Molmil
C-abl Kinase domain with the activator(cmpd51), N-(1-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl)isonicotinamide
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
Authors:campobasso, N.
Deposit date:2019-01-18
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
4O08
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BU of 4o08 by Molmil
Crystal structure of bacillus megaterium epoxide hydrolase in complex with an inhibitor
Descriptor: 2-phenoxyacetamide, SULFATE ION, Soluble epoxide hydrolase
Authors:Kong, X.D, Zhou, J.H, Xu, J.H.
Deposit date:2013-12-13
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NZZ
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BU of 4nzz by Molmil
Crystal structure of epoxide hydrolase from bacillus megaterium
Descriptor: Soluble epoxide hydrolase
Authors:Kong, X.D, Zhou, J.H, Xu, J.H.
Deposit date:2013-12-13
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Proc.Natl.Acad.Sci.USA, 111, 2014
5Z2S
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BU of 5z2s by Molmil
Crystal structure of DUX4-HD2 domain
Descriptor: Double homeobox protein 4
Authors:Dong, X, Zhang, W, Wu, H, Huang, J, Zhang, M, Wang, P, Zhang, H, Chen, Z, Chen, S, Meng, G.
Deposit date:2018-01-03
Release date:2018-04-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of DUX4/IGH-driven transactivation.
Leukemia, 32, 2018
8J6Z
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BU of 8j6z by Molmil
Cryo-EM structure of the Arabidopsis thaliana photosystem I(PSI-LHCII-ST2)
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Chen, S.J.B, Wu, J.H, Sui, S.F, Zhang, L.X.
Deposit date:2023-04-26
Release date:2023-11-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Regulatory dynamics of the higher-plant PSI-LHCI supercomplex during state transitions.
Mol Plant, 16, 2023
8J7A
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BU of 8j7a by Molmil
Coordinates of Cryo-EM structure of the Arabidopsis thaliana PSI in state 1 (PSI-ST1)
Descriptor: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Chen, S.J.B, Wu, J.H, Sui, S.F, Zhang, L.X.
Deposit date:2023-04-27
Release date:2023-11-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Regulatory dynamics of the higher-plant PSI-LHCI supercomplex during state transitions.
Mol Plant, 16, 2023
8J7B
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BU of 8j7b by Molmil
Coordinates of Cryo-EM structure of the Arabidopsis thaliana PSI in state 2 (PSI-ST2)
Descriptor: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Chen, S.J.B, Wu, J.H, Sui, S.F, Zhang, L.X.
Deposit date:2023-04-27
Release date:2023-11-15
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Regulatory dynamics of the higher-plant PSI-LHCI supercomplex during state transitions.
Mol Plant, 16, 2023
5Z2T
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BU of 5z2t by Molmil
Crystal structure of DNA-bound DUX4-HD2
Descriptor: 5'-D(*TP*TP*CP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*TP*T)-3', 5'-D(P*AP*AP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*GP*T)-3', Double homeobox protein 4
Authors:Dong, X, Zhang, W, Wu, H, Huang, J, Zhang, M, Wang, P, Zhang, H, Chen, Z, Chen, S, Meng, G.
Deposit date:2018-01-04
Release date:2018-04-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.623 Å)
Cite:Structural basis of DUX4/IGH-driven transactivation.
Leukemia, 32, 2018
6LAN
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BU of 6lan by Molmil
Structure of CCDC50 and LC3B complex
Descriptor: Coiled-coil domain-containing protein 50,Microtubule-associated proteins 1A/1B light chain 3B
Authors:Liu, L, Li, J, Hou, P.
Deposit date:2019-11-12
Release date:2020-09-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:A novel selective autophagy receptor, CCDC50, delivers K63 polyubiquitination-activated RIG-I/MDA5 for degradation during viral infection.
Cell Res., 31, 2021
3EIR
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BU of 3eir by Molmil
Crystal structure of CHBP, a Cif Homologue from Burkholderia pseudomallei
Descriptor: Putative ATP/GTP binding protein
Authors:Yao, Q, Zhu, Y, Shao, F.
Deposit date:2008-09-17
Release date:2009-02-03
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:A bacterial type III effector family uses the papain-like hydrolytic activity to arrest the host cell cycle
Proc.Natl.Acad.Sci.USA, 106, 2009
3EIT
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BU of 3eit by Molmil
the 2.6 angstrom crystal structure of CHBP, the Cif Homologue from Burkholderia pseudomallei
Descriptor: Putative ATP/GTP binding protein
Authors:Yao, Q, Zhu, Y, Shao, F.
Deposit date:2008-09-17
Release date:2009-02-03
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:A bacterial type III effector family uses the papain-like hydrolytic activity to arrest the host cell cycle
Proc.Natl.Acad.Sci.USA, 106, 2009
7JU7
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BU of 7ju7 by Molmil
The crystal structure of SARS-CoV-2 Main Protease in complex with masitinib
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-08-19
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2.
Science, 373, 2021
6IIV
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BU of 6iiv by Molmil
Crystal structure of the human thromboxane A2 receptor bound to daltroban
Descriptor: 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid, CHOLESTEROL, GLYCEROL, ...
Authors:Fan, H, Zhao, Q, Wu, B.
Deposit date:2018-10-07
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for ligand recognition of the human thromboxane A2receptor.
Nat. Chem. Biol., 15, 2019
6IIU
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BU of 6iiu by Molmil
Crystal structure of the human thromboxane A2 receptor bound to ramatroban
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid, CHOLESTEROL, ...
Authors:Fan, H, Zhao, Q, Wu, B.
Deposit date:2018-10-07
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for ligand recognition of the human thromboxane A2receptor.
Nat. Chem. Biol., 15, 2019
7E3O
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BU of 7e3o by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody nCoV617
Descriptor: Spike protein S1, nCoV617 Heigh Chain, nCoV617 Light Chain
Authors:Chen, S.D, Yang, M.
Deposit date:2021-02-09
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural Basis of a Human Neutralizing Antibody Specific to the SARS-CoV-2 Spike Protein Receptor-Binding Domain.
Microbiol Spectr, 9, 2021
3O64
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BU of 3o64 by Molmil
Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based Tartrate Diamides
Descriptor: (2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide, CALCIUM ION, ISOPROPYL ALCOHOL, ...
Authors:Orth, P.
Deposit date:2010-07-28
Release date:2011-04-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:2-(2-Aminothiazol-4-yl)pyrrolidine-based tartrate diamides as potent, selective and orally bioavailable TACE inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
7WKX
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BU of 7wkx by Molmil
IL-17A in complex with the humanized antibody HB0017
Descriptor: ACETIC ACID, Heavy chain of HB0017 Fab, Interleukin-17A, ...
Authors:Xu, J, Zhu, X, He, Y.
Deposit date:2022-01-12
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural and functional insights into a novel pre-clinical-stage antibody targeting IL-17A for treatment of autoimmune diseases.
Int.J.Biol.Macromol., 202, 2022
8IYG
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BU of 8iyg by Molmil
Human neuronal gap junction channel connexin 36
Descriptor: CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, Gap junction delta-2 protein
Authors:Mao, W.X, Chen, S.S.
Deposit date:2023-04-04
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Assembly mechanisms of the neuronal gap junction channel connexin 36 elucidated by Cryo-EM.
Arch.Biochem.Biophys., 754, 2024
5F8U
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BU of 5f8u by Molmil
Ligand occupancy in crystal structure of beta1-adrenergic receptor previously submitted by Huang et al
Descriptor: 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, Beta-1 adrenergic receptor
Authors:Leslie, A.G.W, Warne, A, Tate, C.G.
Deposit date:2015-12-09
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Ligand occupancy in crystal structure of Beta1 adrenergic G protein coupled receptor
Nat.Struct.Mol.Biol., 22, 2015
3PJA
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BU of 3pja by Molmil
Crystal structure of human C3PO complex
Descriptor: Translin, Translin-associated protein X
Authors:Huang, N, Zhang, H.
Deposit date:2010-11-09
Release date:2011-05-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of C3PO and mechanism of human RISC activation.
Nat.Struct.Mol.Biol., 18, 2011
7X4E
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BU of 7x4e by Molmil
Structure of 10635-DndE
Descriptor: DNA sulfur modification protein DndE, GLYCEROL
Authors:Haiyan, G, Wei, H, Chen, S, Wang, L, Wu, G.
Deposit date:2022-03-02
Release date:2022-04-20
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural and Functional Analysis of DndE Involved in DNA Phosphorothioation in the Haloalkaliphilic Archaea Natronorubrum bangense JCM10635.
Mbio, 13, 2022
7LHB
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BU of 7lhb by Molmil
Crystal structure of Bcl-2 in complex with prodrug ABBV-167
Descriptor: Apoptosis regulator Bcl-2, Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester
Authors:Judge, R.A, Salem, A.H.
Deposit date:2021-01-21
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.068 Å)
Cite:Expanding the Repertoire for "Large Small Molecules": Prodrug ABBV-167 Efficiently Converts to Venetoclax with Reduced Food Effect in Healthy Volunteers.
Mol.Cancer Ther., 20, 2021
4MH1
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BU of 4mh1 by Molmil
Crystal structure and functional studies of quinoprotein L-sorbose dehydrogenase from Ketogulonicigenium vulgare Y25
Descriptor: CALCIUM ION, PYRROLOQUINOLINE QUINONE, Sorbose dehydrogenase
Authors:Han, X, Liu, X.
Deposit date:2013-08-29
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of L-sorbose dehydrogenase, a pyrroloquinoline quinone-dependent enzyme with homodimeric assembly, from Ketogulonicigenium vulgare
Biotechnol.Lett., 36, 2014
7WOT
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BU of 7wot by Molmil
Cryo-EM structure of the inner ring monomer of the Saccharomyces cerevisiae nuclear pore complex
Descriptor: Nucleoporin NIC96, Nucleoporin NSP1, Nucleoporin NUP157, ...
Authors:Li, Z.Q, Chen, S.J.B, Zhao, L, Sui, S.F.
Deposit date:2022-01-22
Release date:2022-04-13
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Near-atomic structure of the inner ring of the Saccharomyces cerevisiae nuclear pore complex.
Cell Res., 32, 2022

224004

PDB entries from 2024-08-21

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