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7LZH
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BU of 7lzh by Molmil
Structure of the glutamate receptor-like channel AtGLR3.4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ...
Authors:Gangwar, S.P, Green, M.N, Sobolevsky, A.I.
Deposit date:2021-03-09
Release date:2021-07-28
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Structure of the Arabidopsis thaliana glutamate receptor-like channel GLR3.4.
Mol.Cell, 81, 2021
7LZ2
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BU of 7lz2 by Molmil
Structure of glutamate receptor-like channel GLR3.4 ligand-binding domain in complex with methionine
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ...
Authors:Gangwar, S.P, Green, M.N, Sobolevsky, A.I.
Deposit date:2021-03-08
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the Arabidopsis thaliana glutamate receptor-like channel GLR3.4.
Mol.Cell, 81, 2021
7LZ0
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BU of 7lz0 by Molmil
Structure of glutamate receptor-like channel GLR3.4 ligand-binding domain in complex with glutamate
Descriptor: CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ...
Authors:Gangwar, S.P, Green, M.N, Sobolevsky, A.I.
Deposit date:2021-03-08
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structure of the Arabidopsis thaliana glutamate receptor-like channel GLR3.4.
Mol.Cell, 81, 2021
4OLG
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BU of 4olg by Molmil
Crystal structure of AmpC beta-lactamase in complex with covalently bound N-formyl 7-aminocephalosporanic acid
Descriptor: (2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Shoichet, B.K, Barelier, S.
Deposit date:2014-01-23
Release date:2014-05-28
Last modified:2014-06-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Substrate deconstruction and the nonadditivity of enzyme recognition.
J.Am.Chem.Soc., 136, 2014
3SFX
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BU of 3sfx by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPT-II and tipifarnib
Descriptor: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE, Cryptococcus neoformans protein farnesyltransferase alpha subunit, ...
Authors:Hast, M.A, Beese, L.S.
Deposit date:2011-06-14
Release date:2011-08-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Cryptococcus neoformans Protein Farnesyltransferase Reveal Strategies for Developing Inhibitors That Target Fungal Pathogens.
J.Biol.Chem., 286, 2011
7LZ1
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BU of 7lz1 by Molmil
Structure of glutamate receptor-like channel GLR3.4 ligand-binding domain in complex with serine
Descriptor: GLYCEROL, Glutamate receptor 3.4, SERINE, ...
Authors:Gangwar, S.P, Green, M.N, Sobolevsky, A.I.
Deposit date:2021-03-08
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structure of the Arabidopsis thaliana glutamate receptor-like channel GLR3.4.
Mol.Cell, 81, 2021
3SGX
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BU of 3sgx by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1100
Descriptor: 4-{3-[(biphenyl-4-ylcarbonyl)amino]phenoxy}benzene-1,2-dicarboxylic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Liu, Y.-L, Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3SKH
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BU of 3skh by Molmil
I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
Descriptor: 1-benzyl-5-chloro-3-(2-fluorophenyl)-1H-indole-2-carboxylic acid, HCV NS5B RNA_DEPENDENT RNA POLYMERASE
Authors:Lesburg, C.A, Anilkumar, G.N.
Deposit date:2011-06-22
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
4OON
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BU of 4oon by Molmil
Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid)
Descriptor: (4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid, Penicillin-binding protein 1A
Authors:Han, S, Caspers, N, Knafels, J.D.
Deposit date:2014-02-03
Release date:2014-05-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.
J.Med.Chem., 57, 2014
3S23
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BU of 3s23 by Molmil
Crystal structure of cerulenin bound Xanthomonas campestri oleA (co-crystal) Xe Derivative
Descriptor: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[ACP] synthase III, ...
Authors:Goblirsch, B.R, Wilmot, C.M.
Deposit date:2011-05-16
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9484 Å)
Cite:Crystal Structures of Xanthomonas campestris OleA Reveal Features That Promote Head-to-Head Condensation of Two Long-Chain Fatty Acids.
Biochemistry, 51, 2012
7LYS
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BU of 7lys by Molmil
Cryo-EM structure of CasPhi-2 (Cas12j) bound to crRNA and DNA
Descriptor: CasPhi-2, NTS-DNA, TS-DNA, ...
Authors:Pausch, P, Soczek, K, Nogales, E, Doudna, J.
Deposit date:2021-03-08
Release date:2021-08-04
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:DNA interference states of the hypercompact CRISPR-Cas Phi effector.
Nat.Struct.Mol.Biol., 28, 2021
4OQI
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BU of 4oqi by Molmil
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutations
Descriptor: CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase
Authors:Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S.
Deposit date:2014-02-09
Release date:2015-05-20
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder.
J. Mol. Biol., 427, 2015
4NK1
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BU of 4nk1 by Molmil
Crystal structure of phosphate-bound Hell's gate globin IV
Descriptor: Hemoglobin-like protein, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jamil, F.
Deposit date:2013-11-12
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of truncated haemoglobin from an extremely thermophilic and acidophilic bacterium.
J.Biochem., 156, 2014
4NCJ
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BU of 4ncj by Molmil
Crystal Structure of Pyrococcus furiosis Rad50 R805E mutation with ADP Beryllium Flouride
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA double-strand break repair Rad50 ATPase, ...
Authors:Classen, S, Williams, G.J, Arvai, A.S, Williams, R.S.
Deposit date:2013-10-24
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling.
Embo J., 33, 2014
7KHT
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BU of 7kht by Molmil
The acyl chains of phosphoinositide PIP3 alter the structure and function of nuclear receptor Steroidogenic Factor-1 (SF-1)
Descriptor: (2S)-3-{[(S)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl (9E,9'E)di-octadec-9-enoate, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha peptide, Steroidogenic factor 1
Authors:Blind, R.D.
Deposit date:2020-10-22
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:The acyl chains of phosphoinositide PIP3 alter the structure and function of nuclear receptor steroidogenic factor-1.
J.Lipid Res., 62, 2021
7MYR
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BU of 7myr by Molmil
BACE-1 in complex with compound #18
Descriptor: (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Hendle, J, Timm, D.E, Stout, S.L.
Deposit date:2021-05-21
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
7MYU
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BU of 7myu by Molmil
BACE-1 in complex with compound #22
Descriptor: Beta-secretase 1, N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide, SULFATE ION
Authors:Hendle, J, Timm, D.E, Stout, S.L.
Deposit date:2021-05-21
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
7MYI
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BU of 7myi by Molmil
BACE-1 in complex with compound #6
Descriptor: (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL
Authors:Hendle, J, Timm, D.E, Stout, S.L.
Deposit date:2021-05-21
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
7N6E
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BU of 7n6e by Molmil
TCR peptide HLA-A2 complex
Descriptor: Beta-2-microglobulin, MHC class I antigen, Spike protein S1, ...
Authors:Chaurasia, P, Rossjohn, J, Petersen, J.
Deposit date:2021-06-08
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of biased T cell receptor recognition of an immunodominant HLA-A2 epitope of the SARS-CoV-2 spike protein.
J.Biol.Chem., 297, 2021
7N6D
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BU of 7n6d by Molmil
HLA peptide complex
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, MHC class I antigen, ...
Authors:Chaurasia, P, Petersen, J, Rossjohn, J.
Deposit date:2021-06-08
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of biased T cell receptor recognition of an immunodominant HLA-A2 epitope of the SARS-CoV-2 spike protein.
J.Biol.Chem., 297, 2021
4LTI
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BU of 4lti by Molmil
Dehydration/Rehydration of a Nucleic Acid system containing a Polypyridyl Ruthenium Complex at 74% relative humidity (4/7)
Descriptor: BARIUM ION, CHLORIDE ION, DNA, ...
Authors:Hall, J.P, Sanchez-Weatherby, J, Cardin, C.J.
Deposit date:2013-07-23
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Controlled Dehydration of a Ruthenium Complex-DNA Crystal Induces Reversible DNA Kinking.
J.Am.Chem.Soc., 136, 2014
3UBM
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BU of 3ubm by Molmil
Formyl-CoA:oxalate CoA-transferase from Acetobacter aceti
Descriptor: COENZYME A, Formyl-CoA:oxalate CoA-transferase
Authors:Starks, C.M, Mullins, E.A, Kappock, T.J.
Deposit date:2011-10-24
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Formyl-coenzyme A (CoA): Oxalate CoA-transferase from the acidophile Acetobacter aceti has a distinctive electrostatic surface and inherent acid stability.
Protein Sci., 21, 2012
3TKT
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BU of 3tkt by Molmil
Crystal structure of CYP108D1 from Novosphingobium aromaticivorans DSM12444
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yang, W, Bell, S.G, Wang, H, Zhou, W, Bartlam, M, Wong, L.-L, Rao, Z.
Deposit date:2011-08-29
Release date:2012-02-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and function of CYP108D1 from Novosphingobium aromaticivorans DSM12444: an aromatic hydrocarbon-binding P450 enzyme
Acta Crystallogr.,Sect.D, 68, 2012
7MZG
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BU of 7mzg by Molmil
SARS-CoV-2 receptor binding domain bound to Fab PDI 42
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, PDI 42 heavy chain, ...
Authors:Pymm, P, Chan, L.J, Dietrich, M.H, Tan, L.L, Tham, W.H.
Deposit date:2021-05-24
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain.
Cell Rep, 37, 2021
7MZJ
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BU of 7mzj by Molmil
SARS-CoV-2 receptor binding domain bound to Fab WCSL 129 and Fab PDI 93
Descriptor: GLYCEROL, PDI 93 heavy chain, PDI 93 light chain, ...
Authors:Pymm, P, Dietrich, M.H, Tan, L.L, Chan, L.J, Tham, W.H.
Deposit date:2021-05-24
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain.
Cell Rep, 37, 2021

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