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4GH0
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BU of 4gh0 by Molmil
Crystal structure of D48V mutant of human GLTP bound with 12:0 monosulfatide
Descriptor: Glycolipid transfer protein, N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide, PENTADECANE
Authors:Samygina, V.R, Cabo-Bilbao, A, Ochoa-Lizarralde, B, Popov, A.N, Malinina, L.
Deposit date:2012-08-07
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural insights into lipid-dependent reversible dimerization of human GLTP.
Acta Crystallogr.,Sect.D, 69, 2013
4GXG
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BU of 4gxg by Molmil
Crystal structure of human GLTP bound with 12:0 monosulfatide (orthorhombic form; four subunits in asymmetric unit)
Descriptor: Glycolipid transfer protein, N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide
Authors:Samygina, V.R, Cabo-Bilbao, A, Goni-de-Cerio, F, Popov, A.N, Malinina, L.
Deposit date:2012-09-04
Release date:2013-04-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into lipid-dependent reversible dimerization of human GLTP.
Acta Crystallogr.,Sect.D, 69, 2013
4GVT
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BU of 4gvt by Molmil
Crystal structure of D48V mutant of human GLTP bound with 12:0 disulfatide (hexagonal form)
Descriptor: Glycolipid transfer protein, N-{(2S,3R,4E)-1-[(3,6-di-O-sulfo-beta-D-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide
Authors:Samygina, V.R, Cabo-Bilbao, A, Goni-de-Cerio, F, Popov, A.N, Malinina, L.
Deposit date:2012-08-31
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insights into lipid-dependent reversible dimerization of human GLTP.
Acta Crystallogr.,Sect.D, 69, 2013
4GXD
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BU of 4gxd by Molmil
Crystal structure of D48V mutant of human GLTP bound with 12:0 disulfatide
Descriptor: Glycolipid transfer protein, N-{(2S,3R,4E)-1-[(3,6-di-O-sulfo-beta-D-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide
Authors:Samygina, V.R, Ochoa-Lizarralde, B, Popov, A.N, Malinina, L.
Deposit date:2012-09-04
Release date:2013-04-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into lipid-dependent reversible dimerization of human GLTP.
Acta Crystallogr.,Sect.D, 69, 2013
4H2Z
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BU of 4h2z by Molmil
Crystal structure of human GLTP bound with 12:0 monosulfatide
Descriptor: Glycolipid transfer protein, N-{(2S,3R,4E)-3-hydroxy-1-[(3-O-sulfo-beta-D-galactopyranosyl)oxy]octadec-4-en-2-yl}dodecanamide, PENTADECANE, ...
Authors:Samygina, V.R, Ochoa-Lizarralde, B, Malinina, L.
Deposit date:2012-09-13
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural insights into lipid-dependent reversible dimerization of human GLTP.
Acta Crystallogr.,Sect.D, 69, 2013
4GIX
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BU of 4gix by Molmil
Crystal structure of human GLTP bound with 12:0 disulfatide
Descriptor: Glycolipid transfer protein, N-{(2S,3R,4E)-1-[(3,6-di-O-sulfo-beta-D-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide
Authors:Samygina, V.R, Ochoa-Lizarralde, B, Malinina, L.
Deposit date:2012-08-09
Release date:2013-04-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into lipid-dependent reversible dimerization of human GLTP.
Acta Crystallogr.,Sect.D, 69, 2013
4HW1
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BU of 4hw1 by Molmil
Multiple Crystal structures of an all-AT DNA dodecamer stabilized by weak interactions.
Descriptor: DNA (5'-D(*AP*AP*TP*AP*AP*AP*TP*TP*TP*AP*TP*T)-3'), MAGNESIUM ION
Authors:Acosta-Reyes, F, Subirana, J.A, Pous, J, Condom, N, Malinina, L, Campos, J.L.
Deposit date:2012-11-07
Release date:2013-11-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Polymorphic crystal structures of an all-AT DNA dodecamer.
Biopolymers, 103, 2015
5OBA
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BU of 5oba by Molmil
Structure of a modified mouse H-chain ferritin with a lanthanide binding motif
Descriptor: FE (III) ION, Ferritin heavy chain
Authors:Baiocco, P, Trabuco, M.C.
Deposit date:2017-06-26
Release date:2018-07-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Engineered ferritin for lanthanide binding.
PLoS ONE, 13, 2018
5OBB
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BU of 5obb by Molmil
Structure of a modified mouse H chain ferritin with a lanthanide binding motif in complex with Terbium
Descriptor: Ferritin heavy chain, TERBIUM(III) ION
Authors:Baiocco, P, Trabuco, M.C.
Deposit date:2017-06-26
Release date:2018-07-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Engineered ferritin for lanthanide binding.
PLoS ONE, 13, 2018
7TM3
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BU of 7tm3 by Molmil
Structure of the rabbit 80S ribosome stalled on a 2-TMD Rhodopsin intermediate in complex with the multipass translocon
Descriptor: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Kim, M.K, Lewis, A.J.O, Keenan, R.J, Hegde, R.S.
Deposit date:2022-01-19
Release date:2022-10-19
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Mechanism of an intramembrane chaperone for multipass membrane proteins.
Nature, 611, 2022
7TUT
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BU of 7tut by Molmil
Structure of the rabbit 80S ribosome stalled on a 4-TMD Rhodopsin intermediate in complex with the multipass translocon
Descriptor: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Kim, M.K, Lewis, A.J.O, Keenan, R.J, Hegde, R.S.
Deposit date:2022-02-03
Release date:2022-10-19
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Mechanism of an intramembrane chaperone for multipass membrane proteins.
Nature, 611, 2022
6ELC
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BU of 6elc by Molmil
Crystal Structure of O-linked Glycosylated VSG3
Descriptor: Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Stebbins, C.E.
Deposit date:2017-09-28
Release date:2018-07-11
Last modified:2022-03-30
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:African trypanosomes evade immune clearance by O-glycosylation of the VSG surface coat.
Nat Microbiol, 3, 2018
5CUH
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BU of 5cuh by Molmil
Crystal structure MMP-9 complexes with a constrained hydroxamate based inhibitor LT4
Descriptor: (4S)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-hydroxy-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Tepshi, L, Vera, L, Nuti, E, Rosalia, L, Rossello, A, Stura, E.A.
Deposit date:2015-07-24
Release date:2016-02-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of a new selective inhibitor of A Disintegrin And Metalloprotease 10 (ADAM-10) able to reduce the shedding of NKG2D ligands in Hodgkin's lymphoma cell models.
Eur.J.Med.Chem., 111, 2016
4V12
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BU of 4v12 by Molmil
Crystal structure of the MSMEG_6754 dehydratase from Mycobacterium smegmatis
Descriptor: (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAOC LIKE DOMAIN PROTEIN
Authors:Blaise, M.
Deposit date:2014-09-23
Release date:2015-03-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A New Dehydratase Conferring Innate Resistance to Thiacetazone and Intra-Amoebal Survival of Mycobacterium Smegmatis.
Mol.Microbiol., 96, 2015
8VAO
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BU of 8vao by Molmil
Simulation-driven design of prefusion stabilized SARS-CoV-2 spike S2 antigen
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2
Authors:Zhou, L, McLellan, J.S.
Deposit date:2023-12-11
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Simulation-Driven Design of Stabilized SARS-CoV-2 Spike S2 Immunogens
To Be Published
8UAJ
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BU of 8uaj by Molmil
Succinate Bound Crystal Structure of Thermus scotoductus SA-01 Ene-reductase
Descriptor: FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase, SUCCINIC ACID
Authors:Wilson, L.A, Guddat, L, Schenk, G, Scott, C.
Deposit date:2023-09-21
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Catalysts, 14, 2024
8UAT
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BU of 8uat by Molmil
Thermus scotoductus SA-01 Ene-reductase Compound 3b Complex
Descriptor: 1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Wilson, L.A, Guddat, L.W, Schenk, G, Scott, C.
Deposit date:2023-09-22
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Catalysts, 14, 2024
8UAS
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BU of 8uas by Molmil
Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 1a
Descriptor: 1-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ...
Authors:Wilson, L.A, Guddat, L.W, Schenk, G, Scott, C.
Deposit date:2023-09-22
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Catalysts, 14, 2024
8UAR
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BU of 8uar by Molmil
Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 4b
Descriptor: 1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ...
Authors:Wilson, L.A, Schenk, G, Guddat, L.W, Scott, C.
Deposit date:2023-09-22
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Catalysts, 14, 2024
4UFZ
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BU of 4ufz by Molmil
Synthesis of Novel NAD Dependant DNA Ligase Inhibitors via Negishi Cross-Coupling: Development of SAR and Resistance Studies
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile, DNA LIGASE
Authors:Murphy-Benenato, K.E, Boriack-Sjodin, P.A, Martinez-Botella, G, Carcanague, D, Gingipali, L, Gowravaram, M, Harang, J, Hale, M, Ioannidis, G, Jahic, H, Johnstone, M, Kutschke, A, Laganas, V.A, Loch, J, Oguto, H, Patel, S.J.
Deposit date:2015-03-20
Release date:2015-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Negishi Cross-Coupling Enabled Synthesis of Novel Nad(+)-Dependent DNA Ligase Inhibitors and Sar Development.
Bioorg.Med.Chem.Lett., 25, 2015
5LS9
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BU of 5ls9 by Molmil
Humanized Archaeal ferritin
Descriptor: Ferritin, putative, MAGNESIUM ION
Authors:Baiocco, P, Trabuco, M.C, Boffi, A.
Deposit date:2016-08-23
Release date:2016-11-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Humanized archaeal ferritin as a tool for cell targeted delivery.
Nanoscale, 9, 2017
8AED
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BU of 8aed by Molmil
Broadly neutralizing DARPin bnD.9 in complex with the HIV-1 envelope variable loop 3 peptide V3 (BG505)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Broadly neutralizing DARPin bnD.9, ...
Authors:Mittl, P, Gloegl, M.
Deposit date:2022-07-13
Release date:2023-08-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Trapping the HIV-1 V3 loop in a helical conformation enables broad neutralization.
Nat.Struct.Mol.Biol., 30, 2023
8QPH
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BU of 8qph by Molmil
Crystal structure of Lymantria dispar CPV14 polyhedra 14 crystals
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin
Authors:Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G.
Deposit date:2023-10-02
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source
To Be Published
8QQC
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BU of 8qqc by Molmil
Crystal structure of Lymantria dispar CPV14 polyhedra single crystal
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin
Authors:Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G.
Deposit date:2023-10-04
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source
To Be Published
5WMG
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BU of 5wmg by Molmil
N-terminal bromodomain of BRD4 in complex with OTX-015
Descriptor: 1,2-ETHANEDIOL, 4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(pyridin-2-yl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid, Bromodomain-containing protein 4
Authors:Zhang, Y.
Deposit date:2017-07-28
Release date:2018-08-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor.
Cancer Discov, 8, 2018

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