Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 89346 results

4RSP
DownloadVisualize
BU of 4rsp by Molmil
X-ray structure of MERS-CoV nsp5 protease bound with a designed inhibitor
Descriptor: Orf1a protein, Peptide inhibitor
Authors:Tomar, S, Mesecar, A.D.
Deposit date:2014-11-10
Release date:2015-06-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Ligand-induced Dimerization of Middle East Respiratory Syndrome (MERS) Coronavirus nsp5 Protease (3CLpro): IMPLICATIONS FOR nsp5 REGULATION AND THE DEVELOPMENT OF ANTIVIRALS.
J.Biol.Chem., 290, 2015
5N1N
DownloadVisualize
BU of 5n1n by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-chloro-9-propan-2-ylpurine
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-chloranyl-9-methyl-purine, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-06
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.405 Å)
Cite:A crystallographic fragment study with cAMP-dependent protein kinase A
To Be Published
6YM9
DownloadVisualize
BU of 6ym9 by Molmil
Mycobacterium tuberculosis FtsZ in complex with GTP-gamma-S
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell division protein FtsZ
Authors:Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F.
Deposit date:2020-04-08
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
J.Mol.Biol., 433, 2021
3M4A
DownloadVisualize
BU of 3m4a by Molmil
Crystal structure of a bacterial topoisomerase IB in complex with DNA reveals a secondary DNA binding site
Descriptor: ACETIC ACID, DNA (5'-D(*GP*AP*AP*TP*AP*AP*GP*GP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*CP*CP*CP*TP*TP*AP*TP*TP*C)-3'), ...
Authors:Patel, A, Yakovleva, L, Shuman, S, Mondragon, A.
Deposit date:2010-03-10
Release date:2010-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of a bacterial topoisomerase IB in complex with DNA reveals a secondary DNA binding site.
Structure, 18, 2010
6FJ2
DownloadVisualize
BU of 6fj2 by Molmil
Structure of Thermolysin solved from SAD data collected at the peak of the Zn absorption edge on ID30B
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, LYSINE, ...
Authors:McCarthy, A.A, Mueller-Dieckmann, C.
Deposit date:2018-01-19
Release date:2018-01-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018
6T13
DownloadVisualize
BU of 6t13 by Molmil
CRYSTAL STRUCTURE OF GLUCOCEREBROSIDASE IN COMPLEX WITH A PYRROLOPYRAZINE
Descriptor: 1,2-ETHANEDIOL, 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Benz, J, Ehler, A, Hug, M, Huber, S, Rufer, A.C, Guba, W, Jagasia, R, Hofmann, E.C, Rodriguez Sarmiento, R.M.
Deposit date:2019-10-03
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel beta-Glucocerebrosidase Activators That Bind to a New Pocket at a Dimer Interface and Induce Dimerization.
Angew.Chem.Int.Ed.Engl., 60, 2021
8T5W
DownloadVisualize
BU of 8t5w by Molmil
Influenza PAN endonuclease I38T mutant with Baloxavir
Descriptor: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-06-14
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
6YON
DownloadVisualize
BU of 6yon by Molmil
Crystal structure of Endoglucanase S127C/A165C from Penicillium verruculosum
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoglucanase, SULFATE ION
Authors:Nemashkalov, V, Kravchenko, O, Gabdulkhakov, A, Tischenko, S, Rozhkova, A, Sinitsyn, A.
Deposit date:2020-04-14
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Endoglucanase S127C/A165C from Penicillium verruculosum
To Be Published
8JPS
DownloadVisualize
BU of 8jps by Molmil
Structure of Duffy Antigen Receptor for Chemokines (DARC)/ACKR1 in complex with the chemokine, CCL7 (Composite map)
Descriptor: Atypical chemokine receptor 1, C-C motif chemokine 7
Authors:Banerjee, R, Khanppnavar, B, Maharana, J, Saha, S, Korkhov, V.M, Shukla, A.K.
Deposit date:2023-06-12
Release date:2024-07-31
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Molecular mechanism of distinct chemokine engagement and functional divergence of the human Duffy antigen receptor.
Cell, 187, 2024
7Z5F
DownloadVisualize
BU of 7z5f by Molmil
VP2-only capsid of MVM D263A mutant
Descriptor: Capsid protein VP1
Authors:Luque, D, Ortega-Esteban, A, Valbuena, A, Vilas, J.L, Rodriguez-Huete, A, Mateu, M.G, Caston, J.R.
Deposit date:2022-03-09
Release date:2023-03-08
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Equilibrium Dynamics of a Biomolecular Complex Analyzed at Single-amino Acid Resolution by Cryo-electron Microscopy.
J.Mol.Biol., 435, 2023
6MGJ
DownloadVisualize
BU of 6mgj by Molmil
Crystal structure of the catalytic domain from GH74 enzyme PoGH74 from Paenibacillus odorifer, apoenzyme
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Stogios, P.J, Skarina, T, Nocek, B, Arnal, G, Brumer, H, Savchenko, A.
Deposit date:2018-09-14
Release date:2019-01-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural enzymology reveals the molecular basis of substrate regiospecificity and processivity of an exemplar bacterial glycoside hydrolase family 74endo-xyloglucanase.
Biochem. J., 475, 2018
6Q9D
DownloadVisualize
BU of 6q9d by Molmil
CI Peripheral Arm focused refinement from Ovine respiratory SC I+III2
Descriptor: Acyl carrier protein, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Letts, J.A, Sazanov, L.A.
Deposit date:2018-12-18
Release date:2019-08-21
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
6YOU
DownloadVisualize
BU of 6you by Molmil
Crystal structure of the cAMP-dependent protein kinase A in complex with Pyrido[3,2-d]pyrimidin-4-amine (soaked)
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, pyrido[3,2-d]pyrimidin-4-amine
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-04-15
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
7Z5E
DownloadVisualize
BU of 7z5e by Molmil
VP2-only capsid of MVM D263A mutant
Descriptor: Capsid protein VP1
Authors:Luque, D, Ortega-Esteban, A, Valbuena, A, Vilas, J.L, Rodriguez-Huete, A, Mateu, M.G, Caston, J.R.
Deposit date:2022-03-09
Release date:2023-03-08
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Equilibrium Dynamics of a Biomolecular Complex Analyzed at Single-amino Acid Resolution by Cryo-electron Microscopy.
J.Mol.Biol., 435, 2023
6VVO
DownloadVisualize
BU of 6vvo by Molmil
Structure of the human clamp loader (Replication Factor C, RFC) bound to the sliding clamp (Proliferating Cell Nuclear Antigen, PCNA)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Gaubitz, C, Liu, X, Stone, N.P, Kelch, B.A.
Deposit date:2020-02-18
Release date:2020-02-26
Last modified:2020-03-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of the human clamp loader bound to the sliding clamp: a further twist on AAA+ mechanism
Biorxiv, 2020
7SP5
DownloadVisualize
BU of 7sp5 by Molmil
Crystal Structure of a Eukaryotic Phosphate Transporter
Descriptor: PHOSPHATE ION, Phosphate transporter, nonyl beta-D-glucopyranoside
Authors:Stroud, R.M, Pedersen, B.P, Kumar, H, Waight, A.B, Risenmay, A.J, Roe-Zurz, Z, Chau, B.H, Schlessinger, A, Bonomi, M, Harries, W, Sali, A, Johri, A.K, Finer-Moore, J.
Deposit date:2021-11-02
Release date:2021-11-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of a eukaryotic phosphate transporter.
Nature, 496, 2013
5N52
DownloadVisualize
BU of 5n52 by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule (E)-3-(2,3-dimethoxyphenyl)acrylic acid
Descriptor: (~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid, Pimtide, Serine/threonine-protein kinase pim-1
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-11
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:A crystallographic fragment study with human Pim-1 kinase
to be published
6YPP
DownloadVisualize
BU of 6ypp by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with PKI (5-24). Soaking of aminofasudil and displacing it with the fragment isoquinoline.
Descriptor: ISOQUINOLINE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G.
Deposit date:2020-04-16
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fluorescence-based displacement experiments
To Be Published
5MZ6
DownloadVisualize
BU of 5mz6 by Molmil
Cryo-EM structure of a Separase-Securin complex from Caenorhabditis elegans at 3.8 A resolution
Descriptor: Interactor of FizzY protein, SEParase
Authors:Boland, A, Martin, T.G, Zhang, Z, Yang, J, Bai, X.C, Chang, L, Scheres, S.H.W, Barford, D.
Deposit date:2017-01-31
Release date:2017-03-08
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structure of a metazoan separase-securin complex at near-atomic resolution.
Nat. Struct. Mol. Biol., 24, 2017
6YOT
DownloadVisualize
BU of 6yot by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with N,N-dimethylisoquinoline-5-sulfonamide and PKI (5-24)
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N},~{N}-dimethylisoquinoline-5-sulfonamide
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-04-15
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
7Z5D
DownloadVisualize
BU of 7z5d by Molmil
VP2-only capsid of wt MVM prototype strain p
Descriptor: Capsid protein VP1
Authors:Luque, D, Ortega-Esteban, A, Valbuena, A, Vilas, J.L, Rodriguez-Huete, A, Mateu, M.G, Caston, J.R.
Deposit date:2022-03-09
Release date:2023-03-08
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Equilibrium Dynamics of a Biomolecular Complex Analyzed at Single-amino Acid Resolution by Cryo-electron Microscopy.
J.Mol.Biol., 435, 2023
4RXG
DownloadVisualize
BU of 4rxg by Molmil
Fructose-6-phosphate aldolase Q59E from E.coli
Descriptor: Fructose-6-phosphate aldolase 1, GLYCEROL, PENTAETHYLENE GLYCOL
Authors:Stellmacher, L, Sandalova, T, Leptihn, S, Schneider, G, Sprenger, G.A, Samland, A.K.
Deposit date:2014-12-11
Release date:2015-10-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.154 Å)
Cite:Acid Base Catalyst Discriminates between a Fructose 6-Phosphate Aldolase and a Transaldolase
ChemCatChem, 2015
4S1Z
DownloadVisualize
BU of 4s1z by Molmil
Crystal structure of TRABID NZF1 in complex with K29 linked di-Ubiquitin
Descriptor: Ubiquitin, Ubiquitin thioesterase ZRANB1, ZINC ION
Authors:Kristariyanto, Y.A, Abdul Rehman, S.A, Campbell, D.G, Morrice, N.A, Johnson, C, Toth, R, Kulathu, Y.
Deposit date:2015-01-16
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:K29-selective ubiquitin binding domain reveals structural basis of specificity and heterotypic nature of k29 polyubiquitin.
Mol.Cell, 58, 2015
4S39
DownloadVisualize
BU of 4s39 by Molmil
IspG in complex with HMBPP
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, ...
Authors:Quitterer, F, Frank, A, Wang, K, Guodong, R, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
Deposit date:2015-01-26
Release date:2015-04-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
3MBE
DownloadVisualize
BU of 3mbe by Molmil
TCR 21.30 in complex with MHC class II I-Ag7HEL(11-27)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC CLASS II H2-IAg7 ALPHA CHAIN, ...
Authors:Corper, A.L, Yoshida, K, Teyton, L, Wilson, I.A.
Deposit date:2010-03-25
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.886 Å)
Cite:The diabetogenic mouse MHC class II molecule I-Ag7 is endowed with a switch that modulates TCR affinity.
J.Clin.Invest., 120, 2010

225946

PDB entries from 2024-10-09

PDB statisticsPDBj update infoContact PDBjnumon