Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
5GVM
DownloadVisualize
BU of 5gvm by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS557
Descriptor: 2-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]ethanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G.
Deposit date:2016-09-06
Release date:2017-07-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
5GVK
DownloadVisualize
BU of 5gvk by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS256
Descriptor: 5-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-cyano-phenyl]-~{N},~{N}-dimethyl-thiophene-2-sulfonamide, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G.
Deposit date:2016-09-06
Release date:2017-07-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
7P4G
DownloadVisualize
BU of 7p4g by Molmil
Rabbit Muscle L-lactate dehydrogenase in complex with citrate
Descriptor: CITRIC ACID, L-lactate dehydrogenase A chain
Authors:Iacovino, L.G, Binda, C, Hochkoeppler, A.
Deposit date:2021-07-11
Release date:2022-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric transitions of rabbit skeletal muscle lactate dehydrogenase induced by pH-dependent dissociation of the tetrameric enzyme.
Biochimie, 199, 2022
6XQA
DownloadVisualize
BU of 6xqa by Molmil
Crystal Structure of HLA A*2402 in complex with TYQWVLKNL, an 9-mer epitope from Influenza B virus
Descriptor: Beta-2-microglobulin, MAGNESIUM ION, MHC class I antigen, ...
Authors:Nguyen, A.T, Szeto, C, Gras, S.
Deposit date:2020-07-09
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph.
Nat Commun, 12, 2021
6ZWT
DownloadVisualize
BU of 6zwt by Molmil
Crystal structure of DNA-binding domain of OmpR of two-component system of Acinetobacter baumannii
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ...
Authors:Narwal, M, Lucchini, V, Trebosc, V, Gartenmann, S, Pieren, M, Kemmer, C, Kammerer, R.A.
Deposit date:2020-07-28
Release date:2021-08-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Targeting virulence regulation to disarm Acinetobacter baumannii pathogenesis.
Virulence, 13, 2022
6T5J
DownloadVisualize
BU of 6t5j by Molmil
Structure of NUDT15 in complex with inhibitor TH1760
Descriptor: 6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Carter, M, Rehling, D, Desroses, M, Zhang, S.M, Hagenkort, A, Valerie, N.C.K, Helleday, T, Stenmark, P.
Deposit date:2019-10-16
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of a chemical probe against NUDT15.
Nat.Chem.Biol., 16, 2020
4ATI
DownloadVisualize
BU of 4ati by Molmil
MITF:M-box complex
Descriptor: 5'-D(*AP*GP*GP*GP*TP*CP*AP*TP*GP*TP*GP*CP*TP*AP*AP*C)-3', 5'-D(*GP*TP*TP*AP*GP*CP*AP*CP*AP*TP*GP*AP*CP*CP*CP*T)-3', MICROPHTHALMIA-ASSOCIATED TRANSCRIPTION FACTOR
Authors:Pogenberg, V, Deineko, V, Wilmanns, M.
Deposit date:2012-05-08
Release date:2012-12-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Restricted Leucine Zipper Dimerization and Specificity of DNA Recognition of the Melanocyte Master Regulator Mitf
Genes Dev., 26, 2012
5GVP
DownloadVisualize
BU of 5gvp by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS654
Descriptor: 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G.
Deposit date:2016-09-06
Release date:2017-07-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
8PI3
DownloadVisualize
BU of 8pi3 by Molmil
Cathepsin S Y132D mutant in complex with NNPI-C10 inhibitor
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CADMIUM ION, ...
Authors:Petruzzella, A, Lau, K, Pojer, F, Oricchio, E.
Deposit date:2023-06-21
Release date:2024-06-05
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins.
Nat.Chem.Biol., 2024
4ATK
DownloadVisualize
BU of 4atk by Molmil
MITF:E-box complex
Descriptor: 5'-D(*AP*GP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*CP*T)-3', MICROPHTHALMIA-ASSOCIATED TRANSCRIPTION FACTOR
Authors:Pogenberg, V, Deineko, V, Wilmanns, M.
Deposit date:2012-05-08
Release date:2012-12-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Restricted Leucine Zipper Dimerization and Specificity of DNA Recognition of the Melanocyte Master Regulator Mitf
Genes Dev., 26, 2012
8TJF
DownloadVisualize
BU of 8tjf by Molmil
monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the CH1-CL interface
Descriptor: Fab Lambda light chain, IgG1 Fab heavy chain
Authors:Oganesyan, V.Y, van Dyk, N, Mazor, Y, Chiang, C.
Deposit date:2023-07-21
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Robust production of monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the C H 1-C lambda interface.
Mabs, 15, 2023
8TI4
DownloadVisualize
BU of 8ti4 by Molmil
monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the CH1-CL interface
Descriptor: GLYCEROL, IgG1 Fab heavy chain, mutated to promote correct pairing, ...
Authors:Oganesyan, V.Y, van Dyk, N, Mazor, Y.
Deposit date:2023-07-19
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Robust production of monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the C H 1-C lambda interface.
Mabs, 15, 2023
8RND
DownloadVisualize
BU of 8rnd by Molmil
Cathepsin S in complex with NNPI-C10 inhibitor
Descriptor: 1,2-ETHANEDIOL, Cathepsin S, DI(HYDROXYETHYL)ETHER, ...
Authors:Petruzzella, A, Lau, K, Pojer, F, Oricchio, E.
Deposit date:2024-01-09
Release date:2024-06-05
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins.
Nat.Chem.Biol., 2024
5CS2
DownloadVisualize
BU of 5cs2 by Molmil
Crystal structure of Plasmodium falciparum diadenosine triphosphate hydrolase in complex with Cyclomarin A
Descriptor: CHLORIDE ION, Cyclomarin A, Histidine triad protein
Authors:Ostermann, N, Schmitt, E, Gerhartz, B, Hinniger, A, Delmas, C.
Deposit date:2015-07-23
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Gift from Nature: Cyclomarin A Kills Mycobacteria and Malaria Parasites by Distinct Modes of Action.
Chembiochem, 16, 2015
8J07
DownloadVisualize
BU of 8j07 by Molmil
96nm repeat of human respiratory doublet microtubule and associated axonemal complexes
Descriptor: ACTA2, Axonemal dynein light intermediate polypeptide 1, Calaxin, ...
Authors:Gui, M, Brown, A.
Deposit date:2023-04-09
Release date:2023-07-26
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Axonemal structures reveal mechanoregulatory and disease mechanisms.
Nature, 618, 2023
7BN7
DownloadVisualize
BU of 7bn7 by Molmil
Crystal structure of ene-reductase OYE2 from S. cerevisiae
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, OYE2 isoform 1
Authors:Robescu, M.S, Bergantino, E, Hall, M, Cendron, L.
Deposit date:2021-01-21
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Acs Catalysis, 12, 2022
7BO0
DownloadVisualize
BU of 7bo0 by Molmil
Crystal structure of ene-reductase GsOYE from Galdieria sulphuraria in complex with alpha-angelica lactone
Descriptor: 5-methyl-3~{H}-furan-2-one, FLAVIN MONONUCLEOTIDE, NADPH2 dehydrogenase-like protein
Authors:Robescu, M.S, Bergantino, E, Hall, M, Cendron, L.
Deposit date:2021-01-23
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Acs Catalysis, 12, 2022
7BN6
DownloadVisualize
BU of 7bn6 by Molmil
Crystal structure of G. sulphuraria ene-reductase GsOYE in complex with b-angelica lactone
Descriptor: (2~{R})-2-methyl-2~{H}-furan-5-one, FLAVIN MONONUCLEOTIDE, NADPH2 dehydrogenase-like protein
Authors:Robescu, M.S, Bergantino, E, Hall, M, Cendron, L.
Deposit date:2021-01-21
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Acs Catalysis, 12, 2022
7BLF
DownloadVisualize
BU of 7blf by Molmil
Crystal structure of ene-reductase OYE4 from Botryotinia fuckeliana (BfOYE4)
Descriptor: FLAVIN MONONUCLEOTIDE, FORMIC ACID, Oxidored_FMN domain-containing protein
Authors:Robescu, M.S, Bergantino, E, Hall, M, Cendron, L.
Deposit date:2021-01-18
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Asymmetric Proton Transfer Catalysis by Stereocomplementary Old Yellow Enzymes for C=C Bond Isomerization Reaction
Acs Catalysis, 12, 2022
4R3B
DownloadVisualize
BU of 4r3b by Molmil
Crystal structure of SHV-1 b-lactamase in complex with 6b-(hydroxymethyl)penicillanic acid sulfone PSR-283A
Descriptor: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine
Authors:Rodkey, E.A, van den Akker, F.
Deposit date:2014-08-14
Release date:2015-01-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.366 Å)
Cite:Detecting a Quasi-stable Imine Species on the Reaction Pathway of SHV-1 beta-Lactamase and 6 beta-(Hydroxymethyl)penicillanic Acid Sulfone.
Biochemistry, 54, 2015
4R5P
DownloadVisualize
BU of 4r5p by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and a nucleoside triphosphate mimic alpha-carboxy nucleoside phosphonate inhibitor
Descriptor: 5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3', 5'-D(*TP*GP*GP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3', HIV-1 reverse transcriptase, ...
Authors:Das, K, Martinez, S.E, Arnold, E.
Deposit date:2014-08-21
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.894 Å)
Cite:Alpha-carboxy nucleoside phosphonates as universal nucleoside triphosphate mimics.
Proc.Natl.Acad.Sci.USA, 112, 2015
6EI5
DownloadVisualize
BU of 6ei5 by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Descriptor: Heat shock protein HSP 90-alpha, [2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
Authors:Musil, D, Lehmann, M, Eggenweiler, H.-M.
Deposit date:2017-09-17
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
7UO9
DownloadVisualize
BU of 7uo9 by Molmil
SARS-CoV-2 replication-transcription complex bound to UTP, in a pre-catalytic state
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Malone, B.F, Perry, J.K, Appleby, T.C, Feng, J.Y, Campbell, E.A, Darst, S.A.
Deposit date:2022-04-12
Release date:2022-11-30
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structural basis for substrate selection by the SARS-CoV-2 replicase.
Nature, 614, 2023
7UO4
DownloadVisualize
BU of 7uo4 by Molmil
SARS-CoV-2 replication-transcription complex bound to Remdesivir triphosphate, in a pre-catalytic state
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Malone, B.F, Perry, J.K, Appleby, T.C, Feng, J.Y, Campbell, E.A, Darst, S.A.
Deposit date:2022-04-12
Release date:2022-11-30
Last modified:2023-03-08
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Structural basis for substrate selection by the SARS-CoV-2 replicase.
Nature, 614, 2023
7UOB
DownloadVisualize
BU of 7uob by Molmil
SARS-CoV-2 replication-transcription complex bound to GTP, in a pre-catalytic state
Descriptor: 3'-DEOXYURIDINE-5'-MONOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Malone, B.F, Perry, J.K, Appleby, T.C, Feng, J.Y, Campbell, E.A, Darst, S.A.
Deposit date:2022-04-12
Release date:2022-11-30
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Structural basis for substrate selection by the SARS-CoV-2 replicase.
Nature, 614, 2023

221371

PDB entries from 2024-06-19

PDB statisticsPDBj update infoContact PDBjnumon