Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

8UFU
DownloadVisualize
BU of 8ufu by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 7-(9-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-4-methylquinolin-2-amine
Descriptor: (7M)-7-[(9S)-9-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-4-methylquinolin-2-amine, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2023-10-04
Release date:2024-03-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
4N75
DownloadVisualize
BU of 4n75 by Molmil
Structural Basis of BamA-mediate Outer Membrane Protein Biogenesis
Descriptor: Outer membrane protein assembly factor BamA
Authors:Ni, D.C.
Deposit date:2013-10-14
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Structural and functional analysis of the beta-barrel domain of BamA from Escherichia coli.
Faseb J., 28, 2014
8U8K
DownloadVisualize
BU of 8u8k by Molmil
Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #8
Descriptor: (4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1
Authors:Anderson, J.W, Vigers, G.P.
Deposit date:2023-09-18
Release date:2024-03-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2.
Elife, 12, 2024
8UK2
DownloadVisualize
BU of 8uk2 by Molmil
The rotavirus VP5*/VP8* conformational transition permeabilizes membranes to Ca2+ (class 5 reconstruction)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Outer capsid glycoprotein VP7, ...
Authors:De Sautu, M, Herrmann, T, Jenni, S, Harrison, S.C.
Deposit date:2023-10-12
Release date:2024-03-27
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (8 Å)
Cite:The rotavirus VP5*/VP8* conformational transition permeabilizes membranes to Ca2.
Plos Pathog., 20, 2024
6E4V
DownloadVisualize
BU of 6e4v by Molmil
The Crystal Structure of FhuE from E. coli in complex with its substrate Coprogen
Descriptor: COPROGEN, FhuE receptor, octyl beta-D-glucopyranoside
Authors:Grinter, R, Lithgow, T.
Deposit date:2018-07-18
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Determination of the molecular basis for coprogen import by Gram-negative bacteria.
Iucrj, 6, 2019
8UPP
DownloadVisualize
BU of 8upp by Molmil
Campylobacter jejuni ketol-acid reductoisomerase in complex with NADPH and Hoe704
Descriptor: (2R)-(dimethylphosphoryl)(hydroxy)acetic acid, Ketol-acid reductoisomerase, MAGNESIUM ION, ...
Authors:Lin, X, Lv, Y, Lonhienne, T, Guddat, L.W.
Deposit date:2023-10-23
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Acs Catalysis, 2024
8UD5
DownloadVisualize
BU of 8ud5 by Molmil
SARS-CoV-2 Nsp15 bound to poly(A/U) RNA, state 2
Descriptor: Non-structural protein 15, RNA (35-MER)
Authors:Ito, F, Yang, H, Zhou, Z.H, Chen, X.S.
Deposit date:2023-09-28
Release date:2024-04-24
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structural basis for polyuridine tract recognition by SARS-CoV-2 Nsp15.
Protein Cell, 15, 2024
8G1Z
DownloadVisualize
BU of 8g1z by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz317
Descriptor: 1,2-ETHANEDIOL, 4-(acetamidomethyl)-N-hydroxybenzamide, Hdac6 protein, ...
Authors:Tararina, M.A, Christianson, D.W.
Deposit date:2023-02-03
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
4N9F
DownloadVisualize
BU of 4n9f by Molmil
Crystal structure of the Vif-CBFbeta-CUL5-ElOB-ElOC pentameric complex
Descriptor: Core-binding factor subunit beta, Cullin-5, Transcription elongation factor B polypeptide 1, ...
Authors:Guo, Y.Y, Dong, L.Y, Huang, Z.W.
Deposit date:2013-10-21
Release date:2014-01-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for hijacking CBF-b and CUL5 E3 ligase complex by HIV-1 Vif
Nature, 505, 2014
8G20
DownloadVisualize
BU of 8g20 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz327
Descriptor: 1,2-ETHANEDIOL, 4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide, ETHANOL, ...
Authors:Tararina, M.A, Christianson, D.W.
Deposit date:2023-02-03
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.766 Å)
Cite:Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
4MRH
DownloadVisualize
BU of 4mrh by Molmil
Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule
Descriptor: 4-chloro-5-methylbenzene-1,2-diamine, CD44 antigen, DIMETHYL SULFOXIDE
Authors:Liu, L.K, Finzel, B.
Deposit date:2013-09-17
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors.
J.Med.Chem., 57, 2014
8UFP
DownloadVisualize
BU of 8ufp by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-2-amine dihydrochloride
Descriptor: (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine, GLYCEROL, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2023-10-04
Release date:2024-03-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic and Computational Insights into Isoform-Selective Dynamics in Nitric Oxide Synthase.
Biochemistry, 63, 2024
4MU1
DownloadVisualize
BU of 4mu1 by Molmil
The structure of wt A. thaliana IGPD2 in complex with Mn2+, imidazole, and sulfate at 1.5 A resolution
Descriptor: 1,2-ETHANEDIOL, IMIDAZOLE, Imidazoleglycerol-phosphate dehydratase 2, ...
Authors:Bisson, C, Britton, K.L, Sedelnikova, S.E, Baker, P.J, Rice, D.W.
Deposit date:2013-09-20
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination.
Structure, 23, 2015
6E88
DownloadVisualize
BU of 6e88 by Molmil
Cryo-EM structure of C. elegans GDP-microtubule
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Tubulin alpha-2 chain, ...
Authors:Chaaban, S, Jariwala, S, Chieh-Ting, H, Redemann, S, Kollman, J, Muller-Reichert, T, Sept, D, Bui, K.H, Brouhard, G.J.
Deposit date:2018-07-27
Release date:2018-10-10
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:The Structure and Dynamics of C. elegans Tubulin Reveals the Mechanistic Basis of Microtubule Growth.
Dev. Cell, 47, 2018
8UD4
DownloadVisualize
BU of 8ud4 by Molmil
SARS-CoV-2 Nsp15 bound to poly(A/U) RNA, state 1
Descriptor: Non-structural protein 15, RNA (35-MER)
Authors:Ito, F, Yang, H, Zhou, Z.H, Chen, X.S.
Deposit date:2023-09-28
Release date:2024-04-24
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural basis for polyuridine tract recognition by SARS-CoV-2 Nsp15.
Protein Cell, 15, 2024
4MV8
DownloadVisualize
BU of 4mv8 by Molmil
Crystal Structure of Biotin Carboxylase from Haemophilus influenzae in Complex with AMPPCP and Phosphate
Descriptor: Biotin carboxylase, PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R.J, Waldrop, G.L.
Deposit date:2013-09-23
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase.
Biochemistry, 54, 2015
4MUG
DownloadVisualize
BU of 4mug by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(5-methoxy-2-(morpholinosulfonylcarbamoyl)-1H-indol-1-yl)acetic acid
Descriptor: 1,2-ETHANEDIOL, ETHANOL, GLYCEROL, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-21
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
4MVX
DownloadVisualize
BU of 4mvx by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea (Chem 1356)
Descriptor: 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MUX
DownloadVisualize
BU of 4mux by Molmil
IspH in complex with pyridin-3-ylmethyl diphosphate
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, pyridin-3-ylmethyl trihydrogen diphosphate
Authors:Span, I, Eisenreich, W, Bacher, A, Oldfield, E, Groll, M.
Deposit date:2013-09-23
Release date:2014-06-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
J.Am.Chem.Soc., 136, 2014
4MWC
DownloadVisualize
BU of 4mwc by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1540)
Descriptor: 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.649 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4MWZ
DownloadVisualize
BU of 4mwz by Molmil
Crystal structure of N-methyl transferase from Plasmodium vivax complexed with S-adenosyl methionine, phosphate and amodiaquine
Descriptor: 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[(DIETHYLAMINO)METHYL]PHENOL, BETA-MERCAPTOETHANOL, PHOSPHATE ION, ...
Authors:Lukk, T, Nair, S.K.
Deposit date:2013-09-25
Release date:2014-10-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Phosphoethanolamine N-methyl transferase is a Malarial drug target
to be published
6E23
DownloadVisualize
BU of 6e23 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
8UD2
DownloadVisualize
BU of 8ud2 by Molmil
SARS-CoV-2 Nsp15, apo-form
Descriptor: Non-structural protein 15
Authors:Ito, F, Yang, H, Zhou, Z.H, Chen, X.S.
Deposit date:2023-09-28
Release date:2024-04-24
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.33 Å)
Cite:Structural basis for polyuridine tract recognition by SARS-CoV-2 Nsp15.
Protein Cell, 15, 2024
6E22
DownloadVisualize
BU of 6e22 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
Descriptor: 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION, WD repeat-containing protein 5
Authors:Phan, J, Fesik, S.W.
Deposit date:2018-07-10
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
4MYV
DownloadVisualize
BU of 4myv by Molmil
Free HSV-2 gD structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein D
Authors:Lu, G, Zhang, N, Qi, J, Li, Y, Chen, Z, Zheng, C, Yan, J, Gao, G.F.
Deposit date:2013-09-28
Release date:2014-10-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal structure of herpes simplex virus 2 gD bound to nectin-1 reveals a conserved mode of receptor recognition.
J.Virol., 88, 2014

224004

數據於2024-08-21公開中

PDB statisticsPDBj update infoContact PDBjnumon