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2YHF
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BU of 2yhf by Molmil
1.9 Angstrom Crystal Structure of CLEC5A
Descriptor: C-TYPE LECTIN DOMAIN FAMILY 5 MEMBER A
Authors:Watson, A.A, Lebedev, A.A, Murshudov, G.M, Vagin, A.A, Hall, B.A, O'Callaghan, C.A.
Deposit date:2011-04-30
Release date:2011-05-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Flexibility of the Macrophage Dengue Virus Receptor Clec5A: Implications for Ligand Binding and Signaling.
J.Biol.Chem., 286, 2011
5LT1
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BU of 5lt1 by Molmil
nucleotide-free kinesin-1 motor domain T92V mutant, P21 crystal form
Descriptor: ACETATE ION, Kinesin-like protein, STRONTIUM ION, ...
Authors:Cao, L, Gigant, B.
Deposit date:2016-09-06
Release date:2017-03-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:The structural switch of nucleotide-free kinesin.
Sci Rep, 7, 2017
7TCB
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BU of 7tcb by Molmil
Crystal Structure of the YaeQ Family Protein VPA0551 from Vibrio parahaemolyticus
Descriptor: YaeQ family protein VPA0551
Authors:Kim, Y, Mulligan, R, Maltseva, N, Gu, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-12-23
Release date:2022-01-05
Last modified:2023-04-19
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of the YaeQ Family Protein VPA0551 from Vibrio parahaemolyticus
To Be Published
7YML
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BU of 7yml by Molmil
Structure of photosynthetic LH1-RC super-complex of Rhodobacter capsulatus
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, BACTERIOCHLOROPHYLL A, ...
Authors:Tani, K, Kanno, R, Ji, X.-C, Satoh, I, Kobayashi, Y, Nagashima, K.V.P, Hall, M, Yu, L.-J, Kimura, Y, Mizoguchi, A, Humbel, B.M, Madigan, M.T, Wang-Otomo, Z.-Y.
Deposit date:2022-07-28
Release date:2023-02-22
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Rhodobacter capsulatus forms a compact crescent-shaped LH1-RC photocomplex.
Nat Commun, 14, 2023
5MQ8
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BU of 5mq8 by Molmil
Crystal structure of Rae1 (YacP) from Bacillus subtilis
Descriptor: GLYCEROL, Uncharacterized protein YacP
Authors:Piton, J, Gilet, L, Pellegrini, O, Leroy, M, Figaro, S, Condon, C.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Rae1/YacP, a new endoribonuclease involved in ribosome-dependent mRNA decay in Bacillus subtilis.
EMBO J., 36, 2017
5MQ9
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BU of 5mq9 by Molmil
Crystal structure of Rae1 (YacP) from Bacillus subtilis (W164L mutant)
Descriptor: SULFATE ION, Uncharacterized protein YacP
Authors:Piton, J, Gilet, L, Pellegrini, O, Leroy, M, Figaro, S, Condon, C.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.174 Å)
Cite:Rae1/YacP, a new endoribonuclease involved in ribosome-dependent mRNA decay in Bacillus subtilis.
EMBO J., 36, 2017
6SHW
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BU of 6shw by Molmil
N-terminal domain of Drosophila X Virus VP3
Descriptor: SULFATE ION, Structural polyprotein
Authors:Ferrero, D.S, Garriga, D, Guerra, P, Uson, I, Verdaguer, N.
Deposit date:2019-08-08
Release date:2020-11-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and dsRNA-binding activity of the Birnavirus Drosophila X Virus VP3 protein.
J.Virol., 2020
6SI6
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BU of 6si6 by Molmil
N-terminal domain of Drosophila X virus VP3
Descriptor: GLYCEROL, IMIDAZOLE, Structural polyprotein
Authors:Ferrero, D.S, Garriga, D, Guerra, P, Uson, I, Verdaguer, N.
Deposit date:2019-08-08
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure and dsRNA-binding activity of the Birnavirus Drosophila X Virus VP3 protein.
J.Virol., 2020
6JI3
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BU of 6ji3 by Molmil
BRD4-BD1 bound with ligand 103
Descriptor: (3~{R})-4-cyclopropyl-1,3-dimethyl-6-(1~{H}-pyrrol-2-yl)-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4
Authors:Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B.
Deposit date:2019-02-20
Release date:2020-02-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:brd4-bd1 bound with ligand 103
To Be Published
5JGL
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BU of 5jgl by Molmil
Crystal structure of GtmA in complex with S-Adenosylmethionine
Descriptor: S-ADENOSYLMETHIONINE, SODIUM ION, UbiE/COQ5 family methyltransferase, ...
Authors:Dolan, S.K, Bock, T, Hering, V, Jones, G.W, Blankenfeldt, W, Doyle, S.
Deposit date:2016-04-20
Release date:2017-03-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural, mechanistic and functional insight into gliotoxinbis-thiomethylation inAspergillus fumigatus.
Open Biol, 7, 2017
3A73
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BU of 3a73 by Molmil
Crystal Structure Analysis of Human serum albumin complexed with delta 12-prostaglandin J2
Descriptor: (5Z,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid, MYRISTIC ACID, Serum albumin
Authors:Ito, S.
Deposit date:2009-09-11
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Delta12-prostaglandin J2 as a product and ligand of human serum albumin: formation of an unusual covalent adduct at His146.
J.Am.Chem.Soc., 132, 2010
7BYM
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BU of 7bym by Molmil
Cryo-EM structure of human KCNQ4 with retigabine
Descriptor: Calmodulin-3, Green fluorescent protein,Potassium voltage-gated channel subfamily KQT member 4, POTASSIUM ION, ...
Authors:Shen, H, Li, T, Yue, Z.
Deposit date:2020-04-23
Release date:2020-12-02
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural Basis for the Modulation of Human KCNQ4 by Small-Molecule Drugs.
Mol.Cell, 81, 2021
6TCL
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BU of 6tcl by Molmil
Photosystem I tetramer
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Chen, M, Perez-Boerema, A, Li, S, Amunts, A.
Deposit date:2019-11-06
Release date:2020-02-19
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Distinct structural modulation of photosystem I and lipid environment stabilizes its tetrameric assembly.
Nat.Plants, 6, 2020
8CTO
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BU of 8cto by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-16
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CUN
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BU of 8cun by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-17
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CWA
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BU of 8cwa by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TC conformation, 53%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-18
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
6T9M
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BU of 6t9m by Molmil
Crystal structure of the Chitinase Domain of the Spore Coat Protein CotE from Clostridium difficile
Descriptor: DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, Peptide in active site, ...
Authors:Whittingham, J.L, Dodson, E.J, Wilkinson, A.J.
Deposit date:2019-10-28
Release date:2020-07-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structures of the GH18 domain of the bifunctional peroxiredoxin-chitinase CotE from Clostridium difficile.
Acta Crystallogr.,Sect.F, 76, 2020
6TDE
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BU of 6tde by Molmil
Tubulin-inhibitor complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Varela, P.F, Gigant, B.
Deposit date:2019-11-08
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.286 Å)
Cite:Discovery of dihydrofuranoallocolchicinoids - Highly potent antimitotic agents with low acute toxicity.
Eur.J.Med.Chem., 207, 2020
6JI4
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BU of 6ji4 by Molmil
brd4-bd1 bound with ligand 138
Descriptor: (3R)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4
Authors:Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B.
Deposit date:2019-02-20
Release date:2020-02-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:brd4-bd1 bound with ligand 138
To Be Published
6NM8
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BU of 6nm8 by Molmil
IgV-V76T BMS compound 105
Descriptor: N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine, Programmed cell death 1 ligand 1
Authors:Perry, E, Zhao, B, Fesik, S.
Deposit date:2019-01-10
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.792 Å)
Cite:Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
6JI5
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BU of 6ji5 by Molmil
brd4-bd1 bound with ligand 167
Descriptor: (3R)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1H-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4
Authors:Cao, D.Y, Li, Y.L, Du, Z.Y, Li, J, Xiong, B.
Deposit date:2019-02-20
Release date:2020-02-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:brd4-bd1 bound with ligand 167
To Be Published
6JJ0
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BU of 6jj0 by Molmil
NMR structure of the 1:1 complex of a carbazole derivative BMVC bound to c-MYC G-quadruplex
Descriptor: 3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole, MycG4
Authors:Liu, W, Lin, C, Yang, D.
Deposit date:2019-02-24
Release date:2019-10-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structures of 1:1 and 2:1 complexes of BMVC and MYC promoter G-quadruplex reveal a mechanism of ligand conformation adjustment for G4-recognition.
Nucleic Acids Res., 47, 2019
6FUG
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BU of 6fug by Molmil
Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol
Descriptor: 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol, Complement factor D
Authors:Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S.
Deposit date:2018-02-27
Release date:2018-06-06
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
6JKE
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BU of 6jke by Molmil
Discovery and the crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2.
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, ...
Authors:Padmanabhan, B, Mathur, S, Deshmukh, P.
Deposit date:2019-02-28
Release date:2020-07-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Novel pyrano 1,3 oxazine based ligand inhibits the epigenetic reader hBRD2 in glioblastoma.
Biochem.J., 477, 2020
4YEK
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BU of 4yek by Molmil
X-ray structure of the thymidine phosphorylase from Salmonella typhimurium in complex with thymidine
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
Authors:Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M.
Deposit date:2015-02-24
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine.
Acta Crystallogr.,Sect.F, 72, 2016

224572

數據於2024-09-04公開中

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