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PDB: 53266 results

8U4W
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The crystal structure of a helical domain deleted PARP1 in complex with isoindolinone based inhibitor.
Descriptor: (4M)-4-(2-{4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazine-1-carbonyl}-1-benzofuran-7-yl)-1H-isoindol-1-one, Poly [ADP-ribose] polymerase 1, processed C-terminus
Authors:Marcotte, D.J.
Deposit date:2023-09-11
Release date:2024-03-27
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Discovery of Potent Isoindolinone Inhibitors that Target an Active Conformation of PARP1 Using DNA-Encoded Libraries.
Chemmedchem, 19, 2024
5UFC
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BU of 5ufc by Molmil
Crystal Structure of Variable Lymphocyte Receptor (VLR) Tn4-22 with H-trisaccharide bound
Descriptor: Tn4-22, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Collins, B.C, Gunn, R.J, McKitrick, T.R, Cummings, R.D, Cooper, M.D, Herrin, B.R, Wilson, I.A.
Deposit date:2017-01-04
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.888 Å)
Cite:Structural Insights into VLR Fine Specificity for Blood Group Carbohydrates.
Structure, 25, 2017
7TA8
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BU of 7ta8 by Molmil
NMR structure of crosslinked cyclophilin A
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Lu, M, Toptygin, D, Xiang, Y, Shi, Y, Schwieters, C.D, Lipinski, E.C, Ahn, J, Byeon, I.-J.L, Gronenborn, A.M.
Deposit date:2021-12-20
Release date:2022-06-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The Magic of Linking Rings: Discovery of a Unique Photoinduced Fluorescent Protein Crosslink.
J.Am.Chem.Soc., 144, 2022
5FQ6
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BU of 5fq6 by Molmil
Crystal structure of the SusCD complex BT2261-2264 from Bacteroides thetaiotaomicron
Descriptor: 3-decanoyloxypropyl decanoate, BT_2261, CALCIUM ION, ...
Authors:Glenwright, A.J, Pothula, K.R, Chorev, D.S, Basle, A, Robinson, C.V, Kleinekathoefer, U, Bolam, D.N, van den Berg, B.
Deposit date:2015-12-07
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for nutrient acquisition by dominant members of the human gut microbiota.
Nature, 541, 2017
8UTA
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BU of 8uta by Molmil
yjdF riboswitch from R. gauvreauii in complex with proflavine bound to Fab BL3-6 S97N
Descriptor: Fab BL3-6 S97N heavy chain, Fab BL3-6 S97N light chain, MAGNESIUM ION, ...
Authors:Krochmal, D, Lewicka, A, Piccirilli, J.A.
Deposit date:2023-10-30
Release date:2024-04-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural basis for promiscuity in ligand recognition by yjdF riboswitch.
Cell Discov, 10, 2024
6PIM
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BU of 6pim by Molmil
Crystal Structure of Human Protocadherin-1 EC3-4
Descriptor: CALCIUM ION, Protocadherin-1
Authors:Modak, D, Sotomayor, M.
Deposit date:2019-06-26
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Identification of an adhesive interface for the non-clustered delta 1 protocadherin-1 involved in respiratory diseases.
Commun Biol, 2, 2019
8CU7
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BU of 8cu7 by Molmil
Crystal structure of A2AAR-StaR2-bRIL in complex with a novel A2a antagonist, LJ-4517
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol, Adenosine receptor A2a,Soluble cytochrome b562, ...
Authors:Shiriaeva, A, Park, D.-J, Kim, G, Lee, Y, Hou, X, Jarhad, D.B, Kim, G, Yu, J, Hyun, Y.E, Kim, W, Gao, Z.-G, Jacobson, K.A, Han, G.W, Stevens, R.C, Jeong, L.S, Choi, S, Cherezov, V.
Deposit date:2022-05-16
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:GPCR Agonist-to-Antagonist Conversion: Enabling the Design of Nucleoside Functional Switches for the A 2A Adenosine Receptor.
J.Med.Chem., 65, 2022
3ICV
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BU of 3icv by Molmil
Structural Consequences of a Circular Permutation on Lipase B from Candida Antartica
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase B
Authors:Horton, J.R, Qian, Z, Jia, D, Lutz, S, Cheng, X.
Deposit date:2009-07-18
Release date:2009-10-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural redesign of lipase B from Candida antarctica by circular permutation and incremental truncation.
J.Mol.Biol., 393, 2009
8PRO
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BU of 8pro by Molmil
The structure of nvBagel2 binding the P8W48O184 polyoxometalate
Descriptor: Cell surface protein, P8W48O184 polyoxometalate
Authors:Vandebroek, L, Voet, A.R.D, Lee, X.Y.
Deposit date:2023-07-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of v13Bagel2
To Be Published
5MUZ
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BU of 5muz by Molmil
Structure of a C-terminal domain of a reptarenavirus L protein
Descriptor: L protein
Authors:Rosenthal, M, Gogrefe, N, Reguera, J, Vogel, D, Rauschenberger, B, Cusack, S, Gunther, S, Reindl, S.
Deposit date:2017-01-14
Release date:2017-05-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.776 Å)
Cite:Structural insights into reptarenavirus cap-snatching machinery.
PLoS Pathog., 13, 2017
6N37
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BU of 6n37 by Molmil
SegA-sym, conformation of TDP-43 low complexity domain segment A sym
Descriptor: TAR DNA-binding protein 43
Authors:Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2018-11-14
Release date:2019-06-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structures of four polymorphic TDP-43 amyloid cores.
Nat.Struct.Mol.Biol., 26, 2019
8FHB
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BU of 8fhb by Molmil
Protein 32 with aldehyde deformylating oxidase activity from Synechococcus sp.
Descriptor: FE (III) ION, tRNA-(MS[2]IO[6]A)-hydroxylase
Authors:Arenas, R, Wilson, D.K, Mak, W.S, Siegel, J.B.
Deposit date:2022-12-13
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Protein 32 with aldehyde deformylating oxidase activity from Synechococcus sp.
To Be Published
6N3C
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BU of 6n3c by Molmil
SegB, conformation of TDP-43 low complexity domain segment A
Descriptor: TAR DNA-binding protein 43
Authors:Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2018-11-14
Release date:2019-06-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of four polymorphic TDP-43 amyloid cores.
Nat.Struct.Mol.Biol., 26, 2019
7JWU
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BU of 7jwu by Molmil
Crystal structure of human ALDH1A1 bound to compound (R)-28
Descriptor: 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Hurley, T.D, Buchman, C.
Deposit date:2020-08-26
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy.
Eur.J.Med.Chem., 211, 2020
8UIW
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BU of 8uiw by Molmil
yjdF riboswitch from R. gauvreauii in complex with chelerythrine bound to Fab BL3-6 S97N
Descriptor: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Fab BL3-6 S97N heavy chain, Fab BL3-6 S97N light chain, ...
Authors:Krochmal, D, Lewicka, A, Piccirilli, J.A.
Deposit date:2023-10-10
Release date:2024-04-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structural basis for promiscuity in ligand recognition by yjdF riboswitch.
Cell Discov, 10, 2024
7JWV
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BU of 7jwv by Molmil
Crystal structure of human ALDH1A1 bound to compound (R)-28
Descriptor: 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ...
Authors:Hurley, T.D, Buchman, C.
Deposit date:2020-08-26
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy.
Eur.J.Med.Chem., 211, 2020
8J9D
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BU of 8j9d by Molmil
Crystal structure of M61 peptidase (bestatin-bound) from Xanthomonas campestris
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ...
Authors:Yadav, P, Kumar, A, Kulkarni, B.S, Jamdar, S.N, Makde, R.D.
Deposit date:2023-05-03
Release date:2024-05-01
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a newly identified M61 family aminopeptidase with broad substrate specificity that is solely responsible for recycling acidic amino acids.
Febs J., 291, 2024
6C2Q
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BU of 6c2q by Molmil
Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the PLP-L-Serine Intermediate
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Kreinbring, C.A, Tu, Y, Liu, D, Petsko, G.A, Ringe, D.
Deposit date:2018-01-08
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time.
Biochemistry, 57, 2018
8TYI
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BU of 8tyi by Molmil
NMR structure of L5pG ([p23W, G24W]kalata B1)
Descriptor: Kalata-B1
Authors:Tian, S, Craik, D.J, Conan, K.W.
Deposit date:2023-08-25
Release date:2024-03-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Nucleation of a key beta-turn promotes cyclotide oxidative folding.
J.Biol.Chem., 300, 2024
1B19
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BU of 1b19 by Molmil
PH AFFECTS GLU B13 SWITCHING AND SULFATE BINDING IN CUBIC INSULIN CRYSTALS (PH 5.80 COORDINATES)
Descriptor: PROTEIN (INSULIN A CHAIN), PROTEIN (INSULIN B CHAIN), SULFATE ION
Authors:Diao, J.S, Caspar, D.L.D.
Deposit date:1998-11-26
Release date:2003-04-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic titration of cubic insulin crystals: pH affects GluB13 switching and sulfate binding.
Acta Crystallogr.,Sect.D, 59, 2003
7ZG7
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BU of 7zg7 by Molmil
Structure of human Apoferritin obtained from ssDNA coated grid
Descriptor: Ferritin heavy chain, SODIUM ION, ZINC ION
Authors:Hrebik, D, Plevka, P.
Deposit date:2022-04-02
Release date:2022-11-23
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (1.77 Å)
Cite:Polyelectrolyte coating of cryo-EM grids improves lateral distribution and prevents aggregation of macromolecules.
Acta Crystallogr D Struct Biol, 78, 2022
4Y8A
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BU of 4y8a by Molmil
Crystal Structure of the N-terminal domain of CEACAM6
Descriptor: Carcinoembryonic antigen-related cell adhesion molecule 6, GLYCEROL, ZINC ION
Authors:Bonsor, D.A, Sundberg, E.J.
Deposit date:2015-02-16
Release date:2015-10-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Diverse oligomeric states of CEACAM IgV domains.
Proc.Natl.Acad.Sci.USA, 112, 2015
5GTU
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BU of 5gtu by Molmil
Structural and mechanistic insights into regulation of the retromer coat by TBC1d5
Descriptor: TBC1 domain family member 5, Vacuolar protein sorting-associated protein 29
Authors:Jia, D, Rosen, M.
Deposit date:2016-08-23
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and mechanistic insights into regulation of the retromer coat by TBC1d5
Nat Commun, 7, 2016
8UP6
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BU of 8up6 by Molmil
Structure of atypical asparaginase from Rhodospirillum rubrum (mutant K19A) in complex with L-Asp
Descriptor: ASPARTIC ACID, Asparaginase, TETRAETHYLENE GLYCOL
Authors:Lubkowski, J, Wlodawer, A, Zhang, D.
Deposit date:2023-10-21
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
7OFG
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BU of 7ofg by Molmil
Oxytocin NMR solution structure
Descriptor: Oxytocin
Authors:Shalev, D.E, Alshanski, I, Yitzchaik, S, Hurevich, M.
Deposit date:2021-05-04
Release date:2021-10-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Determining the structure and binding mechanism of oxytocin-Cu 2+ complex using paramagnetic relaxation enhancement NMR analysis.
J.Biol.Inorg.Chem., 26, 2021

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