Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

6W7F
DownloadVisualize
BU of 6w7f by Molmil
Structure of EED bound to inhibitor 5285
Descriptor: 8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, GLYCEROL, Polycomb protein EED
Authors:Petrunak, E.M, Stuckey, J.A.
Deposit date:2020-03-19
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
J.Med.Chem., 63, 2020
5VPN
DownloadVisualize
BU of 5vpn by Molmil
E. coli Quinol fumarate reductase FrdA E245Q mutation
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Starbird, C.A, Maklashina, E, Sharma, P, Qualls-Histed, S, Cecchini, G, Iverson, T.M.
Deposit date:2017-05-05
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.2232 Å)
Cite:Structural and biochemical analyses reveal insights into covalent flavinylation of the Escherichia coli Complex II homolog quinol:fumarate reductase.
J. Biol. Chem., 292, 2017
6W7V
DownloadVisualize
BU of 6w7v by Molmil
Structure of rabbit actin in complex with truncated analog of Mycalolide B
Descriptor: (1E,3R,4R,5S,6R,9S,10S,12S)-12-[(4-aminobutanoyl)oxy]-1-[ethyl(formyl)amino]-4,10-dimethoxy-3,5,9,13-tetramethyltetradec-1-en-6-yl (2R)-oxolane-2-carboxylate, 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Allingham, J.S, Deng, X, Trofimova, D.
Deposit date:2020-03-19
Release date:2020-10-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Truncated Actin-Targeting Macrolide Derivative Blocks Cancer Cell Motility and Invasion of Extracellular Matrix.
J.Am.Chem.Soc., 143, 2021
7MS5
DownloadVisualize
BU of 7ms5 by Molmil
Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 4-(4-(4-(3,4-difluoro-phenyl)-piperidin-1-ylsulfonyl)-phenyl)-4-oxo-butanoic acid
Descriptor: 1,2-ETHANEDIOL, 4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid, CALCIUM ION, ...
Authors:Mann, M.K, Zepeda-Velazquez, C.A, Alvarez, H.G, Dong, A, Kiyota, T, Aman, A, Arrowsmith, C.H, Al-Awar, R, Harding, R.J, Schapira, M, Structural Genomics Consortium (SGC)
Deposit date:2021-05-10
Release date:2021-06-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure-Activity Relationship of USP5 Inhibitors.
J.Med.Chem., 64, 2021
7MS6
DownloadVisualize
BU of 7ms6 by Molmil
Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with (2-fluoro-4-((4-phenylpiperidin-1-yl)sulfonyl)benzoyl)glycine
Descriptor: 1,2-ETHANEDIOL, N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine, SULFATE ION, ...
Authors:Mann, M.K, Zepeda-Velazquez, C.A, Alvarez, H.G, Dong, A, Kiyota, T, Aman, A, Arrowsmith, C.H, Al-Awar, R, Harding, R.J, Schapira, M.
Deposit date:2021-05-10
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Activity Relationship of USP5 Inhibitors.
J.Med.Chem., 64, 2021
5IRQ
DownloadVisualize
BU of 5irq by Molmil
Human cytochrome P450 17A1 bound to inhibitors (R)- and (S)- orteronel
Descriptor: (R)-orteronel, (S)-orteronel, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Scott, E.E, Petrunak, E.M.
Deposit date:2016-03-14
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Structural and Functional Evaluation of Clinically Relevant Inhibitors of Steroidogenic Cytochrome P450 17A1.
Drug Metab. Dispos., 45, 2017
5VJ3
DownloadVisualize
BU of 5vj3 by Molmil
HIV Protease (PR) in open form with Mg2+ in active site and HIVE-9 in eye site
Descriptor: 4-methyl-N-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide, MAGNESIUM ION, Protease
Authors:Tiefenbrunn, T, Stout, C.D.
Deposit date:2017-04-18
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based campaign for the identification of potential exosite binders of HIV-1 Protease
to be published
7MTX
DownloadVisualize
BU of 7mtx by Molmil
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P176
Descriptor: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-ribopyranosylamine, ...
Authors:Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-05-13
Release date:2021-06-09
Last modified:2025-10-22
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P176
To Be Published
5VJQ
DownloadVisualize
BU of 5vjq by Molmil
Complex between HyHEL10 Fab fragment heavy chain mutant (I29F, S52T, Y53F) and Pekin duck egg lysozyme isoform I (DEL-I)
Descriptor: CHLORIDE ION, GLYCEROL, HyHEL10 heavy chain Fab fragment carrying three mutations; I29F, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2017-04-19
Release date:2018-04-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Germinal center antibody mutation trajectories are determined by rapid self/foreign discrimination.
Science, 360, 2018
7MYS
DownloadVisualize
BU of 7mys by Molmil
Crystal structure of a tRNA (guanine-N1)-methyltransferase from Acinetobacter baumannii AB5075-UW bound to S-adenosyl homocysteine
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-05-21
Release date:2021-06-09
Last modified:2025-10-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a tRNA (guanine-N1)-methyltransferase from Acinetobacter baumannii AB5075-UW bound to S-adenosyl homocysteine
To Be Published
7MSU
DownloadVisualize
BU of 7msu by Molmil
Crystal structure of an archaeal CNNM, MtCorB, CBS-pair domain in complex with Mg2+-ATP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Hemolysin, ...
Authors:Chen, Y.S, Gehring, K.
Deposit date:2021-05-12
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of an archaeal CorB magnesium transporter.
Nat Commun, 12, 2021
7MG5
DownloadVisualize
BU of 7mg5 by Molmil
Concanavalin A bound to a DNA glycoconjugate, Man-ATAT
Descriptor: 3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione, CALCIUM ION, Concanavalin-A, ...
Authors:Partridge, B.E, Winegar, P.H, Mirkin, C.A.
Deposit date:2021-04-12
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Redefining Protein Interfaces within Protein Single Crystals with DNA.
J.Am.Chem.Soc., 143, 2021
5VMP
DownloadVisualize
BU of 5vmp by Molmil
Crystal Structure of Human KDM4 with Small Molecule Inhibitor QC5714
Descriptor: 3-({[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methyl}amino)pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ...
Authors:Hosfield, D.J.
Deposit date:2017-04-28
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8, 2017
5VN0
DownloadVisualize
BU of 5vn0 by Molmil
Water-forming NADH oxidase from Lactobacillus brevis (LbNOX) bound to NADH.
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Cracan, V, Grabarek, Z.
Deposit date:2017-04-28
Release date:2017-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:A genetically encoded tool for manipulation of NADP(+)/NADPH in living cells.
Nat. Chem. Biol., 13, 2017
7MG7
DownloadVisualize
BU of 7mg7 by Molmil
Concanavalin A bound to a DNA glycoconjugate, Man-GTAC
Descriptor: 3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione, CALCIUM ION, Concanavalin-A, ...
Authors:Partridge, B.E, Winegar, P.H, Mirkin, C.A.
Deposit date:2021-04-12
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Redefining Protein Interfaces within Protein Single Crystals with DNA.
J.Am.Chem.Soc., 143, 2021
7MG8
DownloadVisualize
BU of 7mg8 by Molmil
Concanavalin A bound to a DNA glycoconjugate, Man-CGCG
Descriptor: 3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione, CALCIUM ION, Concanavalin-A, ...
Authors:Partridge, B.E, Winegar, P.H, Mirkin, C.A.
Deposit date:2021-04-12
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Redefining Protein Interfaces within Protein Single Crystals with DNA.
J.Am.Chem.Soc., 143, 2021
7MGB
DownloadVisualize
BU of 7mgb by Molmil
Concanavalin A bound to a DNA glycoconjugate, A(Man-T)AT
Descriptor: CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ...
Authors:Partridge, B.E, Winegar, P.H, Mirkin, C.A.
Deposit date:2021-04-12
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Redefining Protein Interfaces within Protein Single Crystals with DNA.
J.Am.Chem.Soc., 143, 2021
6VKD
DownloadVisualize
BU of 6vkd by Molmil
Crystal Structure of Inhibitor JNJ-36689282 in Complex with Prefusion RSV F Glycoprotein
Descriptor: 1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1H-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one, CHLORIDE ION, Prefusion RSV F (DS-Cav1), ...
Authors:McLellan, J.S.
Deposit date:2020-01-20
Release date:2020-05-27
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of 3-({5-Chloro-1-[3-(methylsulfonyl)propyl]-1H-indol-2-yl}methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one (JNJ-53718678), a Potent and Orally Bioavailable Fusion Inhibitor of Respiratory Syncytial Virus.
J.Med.Chem., 63, 2020
6W3O
DownloadVisualize
BU of 6w3o by Molmil
Crystal structure of ligand-binding domain of Campylobacter jejuni chemoreceptor Tlp3 in complex with 4-methylisoleucine
Descriptor: 4-methylisoleucine, CHLORIDE ION, Methyl-accepting chemotaxis protein, ...
Authors:Khan, M.F, Machuca, M.A, Rahman, M.M, Roujeinikova, A.
Deposit date:2020-03-09
Release date:2020-05-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Biomolecules, 10, 2020
6VS6
DownloadVisualize
BU of 6vs6 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid (fragment 2)
Descriptor: 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ...
Authors:Ribeiro, J.A, Dias, M.V.B.
Deposit date:2020-02-10
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.853 Å)
Cite:Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
6VL0
DownloadVisualize
BU of 6vl0 by Molmil
Crystal Structure of the N-prenyltransferase DabA in Complex with GSPP and Mn2+
Descriptor: DabA, GERANYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, ...
Authors:Chekan, J.R, Noel, J.P, Moore, B.S.
Deposit date:2020-01-22
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Algal neurotoxin biosynthesis repurposes the terpene cyclase structural fold into anN-prenyltransferase.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VTJ
DownloadVisualize
BU of 6vtj by Molmil
Structure of a thiolation-reductase di-domain from an archaeal non-ribosomal peptide synthetase
Descriptor: 4'-PHOSPHOPANTETHEINE, Non-ribosomal peptide synthetase
Authors:Deshpande, S, Lott, J.S, Lee, T.V.
Deposit date:2020-02-12
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural characterization of a PCP-R didomain from an archaeal nonribosomal peptide synthetase reveals novel interdomain interactions.
J.Biol.Chem., 296, 2021
6VUR
DownloadVisualize
BU of 6vur by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT366
Descriptor: 2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2020-02-16
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
6VV3
DownloadVisualize
BU of 6vv3 by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1358
Descriptor: 2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2020-02-16
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
6VMX
DownloadVisualize
BU of 6vmx by Molmil
Structure of HD14 TCR in complex with HLA-B7 presenting an EBV epitope
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Farenc, C, Rossjohn, J, Gras, S.
Deposit date:2020-01-28
Release date:2020-07-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A Shared TCR Bias toward an Immunogenic EBV Epitope Dominates in HLA-B*07:02-Expressing Individuals.
J Immunol., 205, 2020

243531

数据于2025-10-22公开中

PDB statisticsPDBj update infoContact PDBjnumon