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7R8D
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BU of 7r8d by Molmil
The structure of human ABCG1 E242Q with cholesterol
Descriptor: CHOLESTEROL, Isoform 4 of ATP-binding cassette sub-family G member 1
Authors:Sun, Y, Li, X, Long, T.
Deposit date:2021-06-26
Release date:2021-09-08
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R8A
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BU of 7r8a by Molmil
The structure of human ABCG5/ABCG8 purified from mammalian cells
Descriptor: 2C7 Fab heavy chain, 2C7 Fab light chain, ATP-binding cassette sub-family G member 5, ...
Authors:Sun, Y, Li, X, Long, T.
Deposit date:2021-06-26
Release date:2021-09-08
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R8B
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BU of 7r8b by Molmil
The structure of human ABCG5/ABCG8 supplemented with cholesterol
Descriptor: 2C7 Fab heavy chain, 2C7 Fab light chain, ATP-binding cassette sub-family G member 5, ...
Authors:Sun, Y, Li, X, Long, T.
Deposit date:2021-06-26
Release date:2021-09-08
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R88
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BU of 7r88 by Molmil
The structure of human ABCG5-I529W/ABCG8-WT
Descriptor: 2C7 Fab heavy chain, 2C7 Fab light chain, ATP-binding cassette sub-family G member 5, ...
Authors:Sun, Y, Li, X, Long, T.
Deposit date:2021-06-26
Release date:2021-09-08
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R8E
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BU of 7r8e by Molmil
The structure of human ABCG1 E242Q complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, Isoform 4 of ATP-binding cassette sub-family G member 1, ...
Authors:Sun, Y, Li, X, Long, T.
Deposit date:2021-06-26
Release date:2021-09-08
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R89
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BU of 7r89 by Molmil
The structure of human ABCG5/ABCG8 purified from yeast
Descriptor: 2C7 Fab heavy chain, 2C7 Fab light chain, ATP-binding cassette sub-family G member 5, ...
Authors:Sun, Y, Li, X, Long, T.
Deposit date:2021-06-26
Release date:2021-09-08
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R87
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BU of 7r87 by Molmil
The structure of human ABCG5-WT/ABCG8-I419E
Descriptor: 2C7 Fab heavy chain, 2C7 Fab light chain, ATP-binding cassette sub-family G member 5, ...
Authors:Sun, Y, Li, X, Long, T.
Deposit date:2021-06-26
Release date:2021-09-08
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R8C
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BU of 7r8c by Molmil
The structure of human ABCG1
Descriptor: Isoform 4 of ATP-binding cassette sub-family G member 1
Authors:Sun, Y, Li, X, Long, T.
Deposit date:2021-06-26
Release date:2021-09-08
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
9AQZ
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BU of 9aqz by Molmil
Crystal structure of Bcl-xL in complex with a small molecule inhibitor
Descriptor: (3M)-3-(1-{[(1r,3R,5S,7r)-adamantan-1-yl]methyl}-5-methyl-1H-pyrazol-4-yl)-6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}pyridine-2-carboxylic acid, Bcl-2-like protein 1, CADMIUM ION
Authors:Judge, R.A, Judd, A.S.
Deposit date:2024-02-22
Release date:2024-10-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.961 Å)
Cite:BCL-X L -targeting antibody-drug conjugates are active in preclinical models and mitigate on-mechanism toxicity of small-molecule inhibitors.
Sci Adv, 10, 2024
6U25
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BU of 6u25 by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS- RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC INVERSE AGONIST
Descriptor: GLYCEROL, NUCLEAR RECEPTOR COACTIVATOR 1 CHIMERA, trans-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid
Authors:Sack, J.
Deposit date:2019-08-19
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Rationally Designed, Conformationally Constrained Inverse Agonists of ROR gamma t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy.
J.Med.Chem., 62, 2019
8T05
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BU of 8t05 by Molmil
Structure of Ciona Myomaker bound to Fab1A1
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 1A1 Fab heavy chain, 1A1 Fab light chain, ...
Authors:Long, T, Li, X.
Deposit date:2023-05-31
Release date:2023-09-27
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Cryo-EM structures of Myomaker reveal a molecular basis for myoblast fusion.
Nat.Struct.Mol.Biol., 30, 2023
8T03
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BU of 8t03 by Molmil
Structure of mouse Myomaker bound to Fab18G7 in detergent
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 18G7 Fab heavy chain, 18G7 Fab light chain, ...
Authors:Long, T, Li, X.
Deposit date:2023-05-31
Release date:2023-09-27
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Cryo-EM structures of Myomaker reveal a molecular basis for myoblast fusion.
Nat.Struct.Mol.Biol., 30, 2023
8T04
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BU of 8t04 by Molmil
Structure of mouse Myomaker bound to Fab18G7 in nanodiscs
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 18G7 Fab heavy chain, 18G7 Fab light chain, ...
Authors:Long, T, Li, X.
Deposit date:2023-05-31
Release date:2023-09-27
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Cryo-EM structures of Myomaker reveal a molecular basis for myoblast fusion.
Nat.Struct.Mol.Biol., 30, 2023
8P7G
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BU of 8p7g by Molmil
Structural characterization of PHOX2B and its DNA interactions shed lights into the molecular basis of the + 7Ala variant pathogenicity in CCHS
Descriptor: Paired mesoderm homeobox protein 2B
Authors:Russo, L, Diana, D, Fattorusso, R.
Deposit date:2023-05-30
Release date:2024-05-15
Last modified:2024-06-26
Method:SOLUTION NMR
Cite:Structural characterization of PHOX2B and its DNA interaction shed light on the molecular basis of the +7Ala variant pathogenicity in CCHS.
Chem Sci, 15, 2024
5Y0A
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BU of 5y0a by Molmil
Cryo-EM structure of zika virus complexed with Fab of ZKA190 at pH 8.0 and 37 celsius degree
Descriptor: protein E, variable region of Fab ZKA190 heavy chain, variable region of Fab ZKA190 light chain
Authors:Wang, J.Q, Lok, S.M.
Deposit date:2017-07-15
Release date:2017-10-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (22 Å)
Cite:A Human Bi-specific Antibody against Zika Virus with High Therapeutic Potential.
Cell, 171, 2017
7OK8
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BU of 7ok8 by Molmil
Crystal structure of human carbonic anhydrase II with 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide
Descriptor: 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-05-17
Release date:2022-06-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action.
Eur.J.Med.Chem., 225, 2021
7ORP
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BU of 7orp by Molmil
crystal structure of human carbonic anhydrase II in complex with 4-((2-hydroxy-3-((3,4,5-trimethoxyphenyl)tellanyl)propyl)selanyl)benzenesulfonamide
Descriptor: 4-[(2R)-2-oxidanyl-3-(3,4,5-trimethylphenyl)tellanyl-propyl]selanylbenzenesulfonamide, 4-[(2S)-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-06-06
Release date:2022-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action.
Eur.J.Med.Chem., 225, 2021
7ORQ
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BU of 7orq by Molmil
crystal structure of human carbonic anhydrase II in complex with 4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide
Descriptor: 4-[(2R)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide, 4-[(2S)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-06-06
Release date:2022-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action.
Eur.J.Med.Chem., 225, 2021
8Q3U
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BU of 8q3u by Molmil
Crystal structure of a fentanyl derivative in complex with human CA VII
Descriptor: Carbonic anhydrase 7, GLYCEROL, ZINC ION, ...
Authors:Alterio, V, Di Fiore, A, De Simone, G.
Deposit date:2023-08-04
Release date:2023-09-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Discovery of a novel series of potent carbonic anhydrase inhibitors with selective affinity for mu Opioid receptor for Safer and long-lasting analgesia.
Eur.J.Med.Chem., 260, 2023
6OKO
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BU of 6oko by Molmil
Crystal structure of mRIPK3 complexed with N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Descriptor: 1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 3
Authors:Pokross, M.E.
Deposit date:2019-04-14
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of RIPK3 Type II Inhibitors Using High-Throughput Mechanistic Studies in Hit Triage.
Acs Med.Chem.Lett., 11, 2020
8BOE
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BU of 8boe by Molmil
Human Carbonic Anhydrase I in complex with (S)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide
Descriptor: 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-11-15
Release date:2023-11-29
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:First-in-Class Dual Hybrid Carbonic Anhydrase Inhibitors and Transient Receptor Potential Vanilloid 1 Agonists Revert Oxaliplatin-Induced Neuropathy.
J.Med.Chem., 66, 2023
8BJX
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BU of 8bjx by Molmil
Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide
Descriptor: 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-11-08
Release date:2023-11-22
Last modified:2024-12-04
Method:X-RAY DIFFRACTION (1.283 Å)
Cite:First-in-Class Dual Hybrid Carbonic Anhydrase Inhibitors and Transient Receptor Potential Vanilloid 1 Agonists Revert Oxaliplatin-Induced Neuropathy.
J.Med.Chem., 66, 2023
8BP6
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BU of 8bp6 by Molmil
Structure of MHC-class I related molecule MR1 with bound M3Ade.
Descriptor: (1R,5S)-8-(9H-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde, Beta-2-microglobulin,Major histocompatibility complex class I-related gene protein
Authors:Berloffa, G, Jakob, R.P, Maier, T.
Deposit date:2022-11-16
Release date:2023-11-29
Last modified:2025-02-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The carbonyl nucleobase adduct M 3 Ade is a potent antigen for adaptive polyclonal MR1-restricted T cells.
Immunity, 2024
5OLF
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BU of 5olf by Molmil
Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions in Living Cancer Cells
Descriptor: GBA-ALA-CYS-ARG-PHE-PHE-CYS
Authors:Brancaccio, D, Carotenuto, A.
Deposit date:2017-07-27
Release date:2018-06-06
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions on Living Cancer Cells.
J. Med. Chem., 61, 2018
8QQC
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BU of 8qqc by Molmil
Crystal structure of Lymantria dispar CPV14 polyhedra single crystal
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin
Authors:Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G.
Deposit date:2023-10-04
Release date:2023-11-08
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:VMXm - A sub-micron focus macromolecular crystallography beamline at Diamond Light Source.
J.Synchrotron Radiat., 31, 2024

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