Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
5A0E
DownloadVisualize
BU of 5a0e by Molmil
Crystal structure of cyclophilin D in complex with CsA analogue, JW47.
Descriptor: JW47, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE F, MITOCHONDRIAL
Authors:Warne, J, Pryce, G, Hill, J, Shi, X, Lenneras, F, Puentes, F, Kip, M, Hilditch, L, Walker, P, Simone, M, Chan, A.W.E, Towers, G, Coker, A.R, Duchen, M, Szabadkai, G, Baker, D, Selwood, D.L.
Deposit date:2015-04-19
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Selective Inhibition of the Mitochondrial Permeability Transition Pore Protects Against Neuro-Degeneration in Experimental Multiple Sclerosis.
J.Biol.Chem., 291, 2016
5YIG
DownloadVisualize
BU of 5yig by Molmil
Crystal structure of Streptococcus pneumonia ParE with inhibitor
Descriptor: 1-ethyl-3-[5-[2-[(1S,5R)-3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-5-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea, DNA topoisomerase 4 subunit B
Authors:Cherian, J, Tan, Y, Hill, J.
Deposit date:2017-10-04
Release date:2018-09-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of dual GyrB/ParE inhibitors active against Gram-negative bacteria.
Eur J Med Chem, 157, 2018
6ILZ
DownloadVisualize
BU of 6ilz by Molmil
Crystal structure of PKCiota in complex with inhibitor
Descriptor: 2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide, Protein kinase C iota type
Authors:Baburajendran, N, Hill, J.
Deposit date:2018-10-21
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.261 Å)
Cite:Fragment-based Discovery of a Small-Molecule Protein Kinase C-iota Inhibitor Binding Post-kinase Domain Residues.
Acs Med.Chem.Lett., 10, 2019
6JLR
DownloadVisualize
BU of 6jlr by Molmil
Crystal structure of wild type MNK2 in complex with inhibitor
Descriptor: 4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide, MAP kinase-interacting serine/threonine-protein kinase 2
Authors:Baburajendran, N, Hill, J.
Deposit date:2019-03-06
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Stepwise Evolution of Fragment Hits against MAPK Interacting Kinases 1 and 2.
J.Med.Chem., 63, 2020
5BOD
DownloadVisualize
BU of 5bod by Molmil
Crystal structure of Streptococcus pneumonia ParE inhibitor
Descriptor: (2R)-N-[3-(3,5-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-dioxane-2-carboxamide, DNA topoisomerase 4 subunit B
Authors:Tan, Y.W, Chen, G, Hung, A.W, Hill, J.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Application of Fragment-based Drug Discovery against DNA GyraseB
to be published
5BOC
DownloadVisualize
BU of 5boc by Molmil
Crystal structure of topoisomerase ParE inhibitor
Descriptor: 3-methyl-4-({3-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}carbamoyl)benzoic acid, DNA topoisomerase 4 subunit B
Authors:Tan, Y.W, Chen, G.Y, Hung, A.W, Hill, J.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Application of Fragment-based Drug Discovery against DNA GyraseB
To be published
6AFK
DownloadVisualize
BU of 6afk by Molmil
Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor
Descriptor: N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide, S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase
Authors:Zhong, W, Koay, A, Wong, Y.W, Sahili, A.E, Nah, Q, Kang, C, Poulsen, A, Chionh, Y.K, McBee, M, Matter, A, Hill, J, Lescar, J, Dedon, P.C.
Deposit date:2018-08-08
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Targeting the Bacterial Epitranscriptome for Antibiotic Development: Discovery of Novel tRNA-(N1G37) Methyltransferase (TrmD) Inhibitors.
Acs Infect Dis., 5, 2019
7ZXK
DownloadVisualize
BU of 7zxk by Molmil
Human IL-27 in complex with neutralizing SRF388 FAb fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-27 subunit alpha, Interleukin-27 subunit beta, ...
Authors:Bloch, Y, Skladanowska, K, Strand, J, Welin, M, Logan, D, Hill, J, Savvides, S.N.
Deposit date:2022-05-21
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of activation and antagonism of receptor signaling mediated by interleukin-27.
Cell Rep, 41, 2022
4EJN
DownloadVisualize
BU of 4ejn by Molmil
Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide
Descriptor: 1,2-ETHANEDIOL, 2-BUTANOL, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, ...
Authors:Eathiraj, S.
Deposit date:2012-04-06
Release date:2012-05-23
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors.
J.Med.Chem., 55, 2012
6Y5M
DownloadVisualize
BU of 6y5m by Molmil
Crystal structure of mouse Autotaxin in complex with compound 1a
Descriptor: (~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Faller, M, Zink, F.
Deposit date:2020-02-25
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Development of autotaxin inhibitors: A series of tetrazole cinnamides.
Bioorg.Med.Chem.Lett., 31, 2021
3W51
DownloadVisualize
BU of 3w51 by Molmil
Tankyrase in complex with 2-hydroxy-4-methylquinoline
Descriptor: 4-methylquinolin-2-ol, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-01-18
Release date:2013-07-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
7SKR
DownloadVisualize
BU of 7skr by Molmil
BtSCoV-Rf1.2004 Papain-Like protease bound to the non-covalent inhibitor 37
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(2-methoxypyridin-4-yl)methyl]-2-[(1R)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide, ...
Authors:Durie, I, Shepard, J, Freitas, B, O'Boyle, B, Enos, S, Pegan, S.D.
Deposit date:2021-10-21
Release date:2022-03-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Exploring Noncovalent Protease Inhibitors for the Treatment of Severe Acute Respiratory Syndrome and Severe Acute Respiratory Syndrome-Like Coronaviruses.
Acs Infect Dis., 8, 2022
7SKQ
DownloadVisualize
BU of 7skq by Molmil
BtSCoV-Rf1.2004 Papain-Like protease bound to the non-covalent inhibitor GRL-0617
Descriptor: 3C-like proteinase, 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, ZINC ION
Authors:Freitas, B, Durie, I, Shepard, J, O'Boyle, B, Enos, S, Pegan, S.D.
Deposit date:2021-10-21
Release date:2022-03-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Exploring Noncovalent Protease Inhibitors for the Treatment of Severe Acute Respiratory Syndrome and Severe Acute Respiratory Syndrome-Like Coronaviruses.
Acs Infect Dis., 8, 2022
5XWR
DownloadVisualize
BU of 5xwr by Molmil
Crystal Structure of RBBP4-peptide complex
Descriptor: Histone-binding protein RBBP4, MET-SER-ARG-ARG-LYS-GLN-ALA-LYS-PRO-GLN-HIS-ILE
Authors:Jobichen, C, Lui, B.H, Daniel, G.T, Sivaraman, J.
Deposit date:2017-06-30
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Targeting cancer addiction for SALL4 by shifting its transcriptome with a pharmacologic peptide.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5ZMA
DownloadVisualize
BU of 5zma by Molmil
Structural basis for an allosteric Eya2 phosphatase inhibitor
Descriptor: 3-fluoro-N'-[(E)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide, Eyes absent homolog 2
Authors:Anantharajan, J, Jansson, A.E, Kang, C.
Deposit date:2018-04-02
Release date:2019-06-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.175 Å)
Cite:Structural and Functional Analyses of an Allosteric EYA2 Phosphatase Inhibitor That Has On-Target Effects in Human Lung Cancer Cells.
Mol.Cancer Ther., 18, 2019
5YJO
DownloadVisualize
BU of 5yjo by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 4
Descriptor: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
Authors:Baburajendran, N, Anna E, J.
Deposit date:2017-10-11
Release date:2018-10-17
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2.135 Å)
Cite:Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
2KYJ
DownloadVisualize
BU of 2kyj by Molmil
Structure of the scorpion toxin U1-Liotoxin-Lw1a
Descriptor: LITX
Authors:Smith, J, Hill, J, Alewood, P.F, King, G.F.
Deposit date:2010-05-28
Release date:2011-06-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of the scorpion toxin U1-Liotoxin-Lw1a
To be Published
6IJL
DownloadVisualize
BU of 6ijl by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 5
Descriptor: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
Authors:Baburajendran, N, Joy, J.
Deposit date:2018-10-10
Release date:2019-08-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
5MU1
DownloadVisualize
BU of 5mu1 by Molmil
UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum soaked with K2PtI6
Descriptor: CALCIUM ION, IODIDE ION, PLATINUM (II) ION, ...
Authors:Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N.
Deposit date:2017-01-11
Release date:2017-07-26
Last modified:2023-03-08
Method:X-RAY DIFFRACTION (3.48 Å)
Cite:Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5MZO
DownloadVisualize
BU of 5mzo by Molmil
UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum (open conformation)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N.
Deposit date:2017-02-01
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.48 Å)
Cite:Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5N2J
DownloadVisualize
BU of 5n2j by Molmil
UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum (closed form)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N.
Deposit date:2017-02-07
Release date:2017-07-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6LHM
DownloadVisualize
BU of 6lhm by Molmil
Structure of human PYCR2
Descriptor: Pyrroline-5-carboxylate reductase 2
Authors:Baburajendran, N.
Deposit date:2019-12-09
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Loss of PYCR2 Causes Neurodegeneration by Increasing Cerebral Glycine Levels via SHMT2.
Neuron, 107, 2020
4J21
DownloadVisualize
BU of 4j21 by Molmil
Tankyrase 2 in complex with 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one
Descriptor: 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-04
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4J3L
DownloadVisualize
BU of 4j3l by Molmil
Tankyrase 2 in complex with 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide
Descriptor: 3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-05
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4J22
DownloadVisualize
BU of 4j22 by Molmil
Tankyrase 2 in complex with 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide
Descriptor: 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, SULFATE ION, Tankyrase-2, ...
Authors:Jansson, A.E, Larsson, E.A, Nordlund, P.L.
Deposit date:2013-02-04
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013

 

12>

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon