Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 89832 results

7AJ5
DownloadVisualize
BU of 7aj5 by Molmil
Structure of DYRK1A in complex with compound 10
Descriptor: 4-(1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Dokurno, P, Surgenor, A.E, Kotschy, A.
Deposit date:2020-09-28
Release date:2021-05-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJM
DownloadVisualize
BU of 7ajm by Molmil
Structure of DYRK1A in complex with compound 32
Descriptor: DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide
Authors:Dokurno, P, Surgenor, A.E, Kotschy, A.
Deposit date:2020-09-29
Release date:2021-05-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
2CNV
DownloadVisualize
BU of 2cnv by Molmil
SAICAR-synthase from Saccharomyces cerevisiae complexed SAICAR
Descriptor: ASPARTIC ACID, N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID, PHOSPHORIBOSYLAMINOIMIDAZOLE-SUCCINOCARBOXAMIDE SYNTHASE, ...
Authors:Urusova, D.V, Antonyuk, S.V, Grebenko, A.I, Levdikov, V.M, Barynin, V.V, Popov, A.N, Lamzin, V.S, Melik-Adamyan, V.R.
Deposit date:2006-05-24
Release date:2006-06-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-Ray Diffraction Study of the Complex of the Enzyme Saicar Synthase with the Reaction Product
Crystallogr.Rep.(Transl. Kristallografiya), 51, 2006
6YNV
DownloadVisualize
BU of 6ynv by Molmil
Cryo-EM structure of Tetrahymena thermophila mitochondrial ATP synthase - Fo-wing region
Descriptor: ATPTT1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kock Flygaard, R, Muhleip, A, Amunts, A.
Deposit date:2020-04-14
Release date:2020-09-30
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Type III ATP synthase is a symmetry-deviated dimer that induces membrane curvature through tetramerization.
Nat Commun, 11, 2020
5H82
DownloadVisualize
BU of 5h82 by Molmil
HETEROYOHIMBINE SYNTHASE THAS2 FROM CATHARANTHUS ROSEUS - APO FORM
Descriptor: ZINC ION, heteroyohimbine synthase THAS2
Authors:Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E.
Deposit date:2015-12-23
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
6BCN
DownloadVisualize
BU of 6bcn by Molmil
I-LtrI E184D bound to cognate substrate (pre-cleavage complex)
Descriptor: CALCIUM ION, DNA (26-MER), Ribosomal protein 3/homing endonuclease-like fusion protein
Authors:Brown, C, Zhang, K, McMurrough, T.A, Gloor, G.B, Edgell, D.R, Junop, M.
Deposit date:2017-10-20
Release date:2018-10-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Active site residue identity regulates cleavage preference of LAGLIDADG homing endonucleases.
Nucleic Acids Res., 46, 2018
7AKA
DownloadVisualize
BU of 7aka by Molmil
Structure of DYRK1A in complex with compound 54
Descriptor: 4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Dokurno, P, Surgenor, A.E, Kotschy, A.
Deposit date:2020-09-30
Release date:2021-05-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AK2
DownloadVisualize
BU of 7ak2 by Molmil
Structure of DYRK1A in complex with compound 53
Descriptor: 4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ...
Authors:Dokurno, P, Surgenor, A.E, Kotschy, A.
Deposit date:2020-09-29
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
6YO0
DownloadVisualize
BU of 6yo0 by Molmil
Cryo-EM structure of Tetrahymena thermophila mitochondrial ATP synthase - F1/peripheral stalk
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase subunit alpha, ...
Authors:Kock Flygaard, R, Muhleip, A, Amunts, A.
Deposit date:2020-04-14
Release date:2020-09-30
Last modified:2020-11-11
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Type III ATP synthase is a symmetry-deviated dimer that induces membrane curvature through tetramerization.
Nat Commun, 11, 2020
7AJV
DownloadVisualize
BU of 7ajv by Molmil
Structure of DYRK1A in complex with compound 38
Descriptor: 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Dokurno, P, Surgenor, A.E, Kotschy, A.
Deposit date:2020-09-29
Release date:2021-05-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
6N50
DownloadVisualize
BU of 6n50 by Molmil
Metabotropic Glutamate Receptor 5 Extracellular Domain in Complex with Nb43 and L-quisqualic acid
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ...
Authors:Koehl, A, Hu, H, Feng, D, Sun, B, Chu, M, Weis, W.I, Skiniotis, G, Mathiesen, J.M, Kobilka, B.K.
Deposit date:2018-11-20
Release date:2019-01-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.751 Å)
Cite:Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
4CDV
DownloadVisualize
BU of 4cdv by Molmil
Spectroscopically-validated structure of cytochrome c prime from Alcaligenes xylosoxidans, reduced by X-ray irradiation at 100K
Descriptor: CYTOCHROME C', HEME C, SULFATE ION
Authors:Kekilli, D, Dworkowski, F, Antonyuk, S, Hough, M.A.
Deposit date:2013-11-06
Release date:2014-05-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Fingerprinting Redox and Ligand States in Haemprotein Crystal Structures Using Resonance Raman Spectroscopy.
Acta Crystallogr.,Sect.D, 70, 2014
3M04
DownloadVisualize
BU of 3m04 by Molmil
Carbonic Anhydrase II in complex with novel sulfonamide inhibitor
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, ZINC ION, ...
Authors:Schulze Wischeler, J, Heine, A, Klebe, G, Sandner, N.U.
Deposit date:2010-03-02
Release date:2011-05-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural investigation and inhibitor studies on Carbonic Anhydrase II
To be Published
7AIN
DownloadVisualize
BU of 7ain by Molmil
Structure of Human Potassium Chloride Transporter KCC3 S45D/T940D/T997D in NaCl (Reference Map)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Chi, G, Man, H, Ebenhoch, R, Reggiano, G, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, DiMaio, F, Duerr, K.L, Structural Genomics Consortium (SGC)
Deposit date:2020-09-28
Release date:2021-06-02
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
2OT3
DownloadVisualize
BU of 2ot3 by Molmil
Crystal structure of rabex-5 VPS9 domain in complex with nucleotide free RAB21
Descriptor: Rab5 GDP/GTP exchange factor, Ras-related protein Rab-21
Authors:Delprato, A, Lambright, D.
Deposit date:2007-02-07
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for Rab GTPase activation by VPS9 domain exchange factors.
Nat.Struct.Mol.Biol., 14, 2007
5MO0
DownloadVisualize
BU of 5mo0 by Molmil
Neutron structure of cationic trypsin in complex with benzamidine
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin
Authors:Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G.
Deposit date:2016-12-13
Release date:2018-02-28
Last modified:2024-10-23
Method:NEUTRON DIFFRACTION (1.502 Å)
Cite:Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
4YQD
DownloadVisualize
BU of 4yqd by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
Descriptor: 6-{[(1-{2-[(3-methylbenzoyl)amino]ethyl}cyclohexyl)methyl]amino}pyridine-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
Authors:Elkins, P.A, Bonnette, W.G, Madauss, K.P.
Deposit date:2015-03-13
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To be published
7AIQ
DownloadVisualize
BU of 7aiq by Molmil
Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Subclass 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Solute carrier family 12 member 4, ...
Authors:Ebenhoch, R, Chi, G, Man, H, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Singh, N.K, Abrusci, P, Liko, I, Tehan, B.G, Almeida, F.G, Arrowsmith, C.H, Tang, H, Robinson, C.V, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L, Structural Genomics Consortium (SGC)
Deposit date:2020-09-28
Release date:2021-06-02
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
8QQJ
DownloadVisualize
BU of 8qqj by Molmil
CryoEM structure of the type IV pilin PilA5 from Thermus thermophilus
Descriptor: 7-Acetamido-5-acetimidoyl-3,5,7,9-tetradeoxy-L-glycero-L-manno-nonulosonic aci-(1-4)-alpha-D-mannopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose, MAGNESIUM ION, Type IV narrow pilus major component PilA5
Authors:Gold, V.A.M, Neuhaus, A, Gaines, M, Isupov, M, McLaren, M.
Deposit date:2023-10-04
Release date:2024-10-16
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:CryoEM structure of the type IV pilin PilA4 from Thermus thermophilus
To Be Published
7AIP
DownloadVisualize
BU of 7aip by Molmil
Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Reference Map)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ebenhoch, R, Chi, G, Man, H, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Liko, I, Tehan, B.G, Almeida, F.G, Elkins, J, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Tang, H, Robinson, C.V, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L, Structural Genomics Consortium (SGC)
Deposit date:2020-09-28
Release date:2021-06-02
Last modified:2021-07-28
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
6O8O
DownloadVisualize
BU of 6o8o by Molmil
Crystal Structure of C9S disulfide state of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
Descriptor: CHLORIDE ION, SULFATE ION, Transcriptional regulator, ...
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
8ENA
DownloadVisualize
BU of 8ena by Molmil
Thaumatin native-SAD structure determined at 5 keV with a helium environmet
Descriptor: Thaumatin-1
Authors:Karasawa, A, Andi, B, Ruchs, M.R, Shi, W, McSweeney, S, Hendrickson, W.A, Liu, Q.
Deposit date:2022-09-29
Release date:2022-11-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multi-crystal native-SAD phasing at 5 keV with a helium environment.
Iucrj, 9, 2022
8EAS
DownloadVisualize
BU of 8eas by Molmil
Yeast VO in complex with Vma12-22p
Descriptor: V-type proton ATPase assembly factor Vma12p, V-type proton ATPase subunit F, V-type proton ATPase subunit a, ...
Authors:Wang, H, Bueler, S.A, Rubinstein, J.L.
Deposit date:2022-08-29
Release date:2022-11-02
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis of V-ATPase V O region assembly by Vma12p, 21p, and 22p.
Proc.Natl.Acad.Sci.USA, 120, 2023
6IKG
DownloadVisualize
BU of 6ikg by Molmil
Crystal structure of substrate-bound S9 peptidase (S514A mutant) from Deinococcus radiodurans
Descriptor: Acyl-peptide hydrolase, putative, GLYCEROL, ...
Authors:Yadav, P, Kumar, A, Goyal, V.D, Makde, R.D.
Deposit date:2018-10-16
Release date:2018-11-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Carboxypeptidase in prolyl oligopeptidase family: Unique enzyme activation and substrate-screening mechanisms.
J.Biol.Chem., 294, 2019
6UEK
DownloadVisualize
BU of 6uek by Molmil
Structure of Urocanate Hydratase from Trypanosoma cruzi in complex with NAD+
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Urocanate hydratase
Authors:Boreiko, S, Silva, M, Melo, R.F.P, Silber, A.M, Iulek, J.
Deposit date:2019-09-21
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structure of Urocanate Hydratase from the protozoan Trypanosoma cruzi.
Int.J.Biol.Macromol., 146, 2019

227344

PDB entries from 2024-11-13

PDB statisticsPDBj update infoContact PDBjnumon