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6GYW
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BU of 6gyw by Molmil
Crystal structure of DacA from Staphylococcus aureus
Descriptor: Diadenylate cyclase
Authors:Tosi, T, Freemont, P.S, Grundling, A.
Deposit date:2018-07-02
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM.
PLoS Pathog., 15, 2019
6GYY
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BU of 6gyy by Molmil
Crystal structure of DacA from Staphylococcus aureus, N166C/T172C double mutant
Descriptor: Diadenylate cyclase
Authors:Tosi, T, Freemont, P.S, Grundling, A.
Deposit date:2018-07-02
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM.
PLoS Pathog., 15, 2019
6GYX
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BU of 6gyx by Molmil
Crystal structure of DacA from Staphylococcus aureus in complex with ApCpp
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Diadenylate cyclase, MANGANESE (II) ION
Authors:Tosi, T, Freemont, P.S, Grundling, A.
Deposit date:2018-07-02
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM.
PLoS Pathog., 15, 2019
4DT0
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BU of 4dt0 by Molmil
The structure of the peripheral stalk subunit E from Pyrococcus horikoshii
Descriptor: V-type ATP synthase subunit E
Authors:Balakrishna, A.M, Gruber, G.
Deposit date:2012-02-20
Release date:2012-05-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:The structure of subunit E of the Pyrococcus horikoshii OT3 A-ATP synthase gives insight into the elasticity of the peripheral stalk.
J.Mol.Biol., 420, 2012
3G5Q
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BU of 3g5q by Molmil
Crystal structure of Thermus thermophilus TrmFO
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate--tRNA-(uracil-5-)-methyltransferase trmFO
Authors:Nishimasu, H, Ishitani, R, Hori, H, Nureki, O.
Deposit date:2009-02-05
Release date:2009-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Atomic structure of a folate/FAD-dependent tRNA T54 methyltransferase
Proc.Natl.Acad.Sci.USA, 106, 2009
3G5R
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BU of 3g5r by Molmil
Crystal structure of Thermus thermophilus TrmFO in complex with tetrahydrofolate
Descriptor: (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Nishimasu, H, Ishitani, R, Hori, H, Nureki, O.
Deposit date:2009-02-05
Release date:2009-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Atomic structure of a folate/FAD-dependent tRNA T54 methyltransferase
Proc.Natl.Acad.Sci.USA, 106, 2009
3G5S
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BU of 3g5s by Molmil
Crystal structure of Thermus thermophilus TrmFO in complex with glutathione
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, ...
Authors:Nishimasu, H, Ishitani, R, Hori, H, Nureki, O.
Deposit date:2009-02-05
Release date:2009-05-19
Last modified:2011-12-14
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Atomic structure of a folate/FAD-dependent tRNA T54 methyltransferase
Proc.Natl.Acad.Sci.USA, 106, 2009
2GS9
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BU of 2gs9 by Molmil
Crystal structure of TT1324 from Thermus thermophilis HB8
Descriptor: FORMIC ACID, Hypothetical protein TT1324, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Kamitori, S, Abe, A, Ebihara, A, Kanagawa, M, Nakagawa, N, Kuroishi, C, Agari, Y, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-25
Release date:2007-03-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of TT1324 from Thermus thermophilis HB8
To be Published
7OJR
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BU of 7ojr by Molmil
Bacillus subtilis phosphoglucomutase GlmM (phosphate bound)
Descriptor: PHOSPHATE ION, Phosphoglucosamine mutase
Authors:Pathania, M, Grundling, A.G, Freemont, P.
Deposit date:2021-05-17
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural basis for the inhibition of the Bacillus subtilis c-di-AMP cyclase CdaA by the phosphoglucomutase GlmM.
J.Biol.Chem., 297, 2021
7OJS
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BU of 7ojs by Molmil
Complex structure 2 of the Bacillus subtilis CdaA c-di-AMP cyclase domain (CdaACD) and the phosphoglucomutase GlmM short variant (GlmMF369)
Descriptor: Cyclic di-AMP synthase CdaA, Phosphoglucosamine mutase
Authors:Pathania, M, Grundling, A.G, Freemont, P.
Deposit date:2021-05-17
Release date:2021-10-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Structural basis for the inhibition of the Bacillus subtilis c-di-AMP cyclase CdaA by the phosphoglucomutase GlmM.
J.Biol.Chem., 297, 2021
7OML
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BU of 7oml by Molmil
Bacillus subtilis phosphoglucomutase GlmM (metal bound)
Descriptor: MAGNESIUM ION, Phosphoglucosamine mutase
Authors:Pathania, M, Grundling, A.G, Freemont, P.
Deposit date:2021-05-24
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the inhibition of the Bacillus subtilis c-di-AMP cyclase CdaA by the phosphoglucomutase GlmM.
J.Biol.Chem., 297, 2021
7OLH
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BU of 7olh by Molmil
Bacillus subtilis Complex structure 1 of diadenylate cyclase CdaA cytoplasmic domain (CdaACD) and the phosphoglucomutase GlmM short variant (GlmMF369)
Descriptor: Cyclic di-AMP synthase CdaA, Phosphoglucosamine mutase
Authors:Pathania, M, Grundling, A.G, Freemont, P.
Deposit date:2021-05-20
Release date:2021-10-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Structural basis for the inhibition of the Bacillus subtilis c-di-AMP cyclase CdaA by the phosphoglucomutase GlmM.
J.Biol.Chem., 297, 2021
4X6Y
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BU of 4x6y by Molmil
Human soluble epoxide hydrolase in complex with a cyclopropyl urea derivative
Descriptor: 4-phenoxy-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide, Bifunctional epoxide hydrolase 2
Authors:Chiyo, N, Takai, K, Ishii, T.
Deposit date:2014-12-09
Release date:2015-04-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4X6X
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BU of 4x6x by Molmil
Human soluble epoxide hydrolase in complex with a three substituted cyclopropane derivative
Descriptor: 3-{4-[(1-{[(1s,2R,3S)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid, Bifunctional epoxide hydrolase 2
Authors:Chiyo, N, Takai, K, Ishii, T.
Deposit date:2014-12-09
Release date:2015-04-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8FXB
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BU of 8fxb by Molmil
SARS-CoV-2 XBB.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Heavy chain, ...
Authors:Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2023-01-24
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
8FXC
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BU of 8fxc by Molmil
SARS-CoV-2 BQ.1.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Heavy chain, ...
Authors:Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
Deposit date:2023-01-24
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Neutralization, effector function and immune imprinting of Omicron variants.
Nature, 621, 2023
3G86
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BU of 3g86 by Molmil
Hepatitis C virus polymerase NS5B (BK 1-570) with thiazine inhibitor
Descriptor: N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide, NICKEL (II) ION, RNA-directed RNA polymerase
Authors:Harris, S.F, Ghate, M.
Deposit date:2009-02-11
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Non-nucleoside inhibitors of HCV polymerase NS5B. Part 2: Synthesis and structure-activity relationships of benzothiazine-substituted quinolinediones
Bioorg.Med.Chem.Lett., 19, 2009
8HRX
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BU of 8hrx by Molmil
Cryo-EM structure of human NTCP-myr-preS1-YN9048Fab complex
Descriptor: Fab heavy chain from antibody IgG clone number YN9048, Fab light chain from antibody IgG clone number YN9048, PreS1 protein (Fragment), ...
Authors:Asami, J, Shimizu, T, Ohto, U.
Deposit date:2022-12-16
Release date:2024-01-17
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structural basis of hepatitis B virus receptor binding.
Nat.Struct.Mol.Biol., 31, 2024
8HRY
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BU of 8hry by Molmil
Cryo-EM structure of human NTCP-myr-preS1-YN9016Fab complex
Descriptor: Fab heavy chain from antibody IgG clone number YN9016, Fab light chain from antibody IgG clone number YN9016, Large S protein (Fragment), ...
Authors:Asami, J, Shimizu, T, Ohto, U.
Deposit date:2022-12-16
Release date:2024-01-17
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structural basis of hepatitis B virus receptor binding.
Nat.Struct.Mol.Biol., 31, 2024
3LG8
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BU of 3lg8 by Molmil
Crystal structure of the C-terminal part of subunit E (E101-206) from Methanocaldococcus jannaschii of A1AO ATP synthase
Descriptor: A-type ATP synthase subunit E
Authors:Balakrishna, A.M, Manimekalai, M.S.S, Hunke, C, Gayen, S, Jeyakanthan, J, Gruber, G.
Deposit date:2010-01-19
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Crystal and solution structure of the C-terminal part of the Methanocaldococcus jannaschii A1AO ATP synthase subunit E revealed by X-ray diffraction and small-angle X-ray scattering
J.Bioenerg.Biomembr., 42, 2010
3H59
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BU of 3h59 by Molmil
Hepatitis C virus polymerase NS5B with thiazine inhibitor 2
Descriptor: N-{3-[(5S)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase
Authors:Harris, S.F, Ghate, M.
Deposit date:2009-04-21
Release date:2009-09-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids
Bioorg.Med.Chem.Lett., 19, 2009
8XEJ
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BU of 8xej by Molmil
Cryo-EM structure of human XKR8-basigin complex in lipid nanodisc
Descriptor: 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Fab heavy chain, Fab light chain, ...
Authors:Sakuragi, T.S, Kanai, R.K, Kikkawa, M.K, Toyoshima, C.T, Nagata, S.N.
Deposit date:2023-12-12
Release date:2024-02-28
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:The role of the C-terminal tail region as a plug to regulate XKR8 lipid scramblase.
J.Biol.Chem., 300, 2024
3WRV
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BU of 3wrv by Molmil
Crystal structure of NN domain of resistance protein
Descriptor: Tm-1 protein
Authors:Matsumura, H, Katoh, E.
Deposit date:2014-02-27
Release date:2014-08-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for the recognition-evasion arms race between Tomato mosaic virus and the resistance gene Tm-1
Proc.Natl.Acad.Sci.USA, 111, 2014
3WRW
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BU of 3wrw by Molmil
Crystal structure of the N-terminal domain of resistance protein
Descriptor: L(+)-TARTARIC ACID, Tm-1 protein
Authors:Katoh, E, Kezuka, Y.
Deposit date:2014-02-27
Release date:2014-08-13
Last modified:2016-11-16
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural basis for the recognition-evasion arms race between Tomato mosaic virus and the resistance gene Tm-1
Proc.Natl.Acad.Sci.USA, 111, 2014
5IUG
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BU of 5iug by Molmil
Crystal Structure of Anaplastic Lymphoma Kinase (ALK) in complex with 5a
Descriptor: ALK tyrosine kinase receptor, N-[3-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Authors:Tu, C.H, Wu, S.Y.
Deposit date:2016-03-18
Release date:2016-05-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Pyrazolylamine Derivatives Reveal the Conformational Switching between Type I and Type II Binding Modes of Anaplastic Lymphoma Kinase (ALK).
J.Med.Chem., 59, 2016

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PDB entries from 2024-07-17

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