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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
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
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
1KJU
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BU of 1kju by Molmil
Ca2+-ATPase in the E2 State
Descriptor: Sarcoplasmic/endoplasmic reticulum calcium ATPase 1a
Authors:Xu, C, Rice, W.J, He, W, Stokes, D.L.
Deposit date:2001-12-05
Release date:2001-12-19
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (6 Å)
Cite:A structural model for the catalytic cycle of Ca(2+)-ATPase.
J.Mol.Biol., 316, 2002
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
6GYZ
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BU of 6gyz by Molmil
Crystal structure of GlmM from Staphylococcus aureus
Descriptor: Phosphoglucosamine mutase
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 (3 Å)
Cite:Inhibition of the Staphylococcus aureus c-di-AMP cyclase DacA by direct interaction with the phosphoglucosamine mutase GlmM.
PLoS Pathog., 15, 2019
6U9V
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BU of 6u9v by Molmil
Cryo electron microscopy structure of the ATP-gated rat P2X7 ion channel in the apo, closed state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mansoor, S.E, McCarthy, A.E.
Deposit date:2019-09-09
Release date:2019-10-23
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Full-Length P2X7Structures Reveal How Palmitoylation Prevents Channel Desensitization.
Cell, 179, 2019
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
5IUH
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BU of 5iuh by Molmil
Crystal Structure of the Anaplastic Lymphoma Kinase (ALK) in complex with 5d
Descriptor: 4-[(4-methylpiperazin-1-yl)methyl]-N-{3-[3-methyl-4-({[5-(propan-2-yl)-1,2-oxazol-3-yl]carbamoyl}amino)phenyl]-1H-pyrazol-5-yl}benzamide, ALK tyrosine kinase receptor
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 (2.1 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
6U9W
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BU of 6u9w by Molmil
Cryo electron microscopy structure of the ATP-gated rat P2X7 ion channel in the ATP-bound, open state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Mansoor, S.E, McCarthy, A.E.
Deposit date:2019-09-09
Release date:2019-10-23
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Full-Length P2X7Structures Reveal How Palmitoylation Prevents Channel Desensitization.
Cell, 179, 2019
5IUI
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BU of 5iui by Molmil
Crystal Structure of Anaplastic Lyphoma Kinase (ALK) in complex with 4
Descriptor: ALK tyrosine kinase receptor, N-[3-(4-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 (1.88 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
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
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
7XMC
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BU of 7xmc by Molmil
Cryo-EM structure of Cytochrome bo3 from Escherichia coli, apo structure with DMSO
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
Authors:Nishida, Y, Shigematsu, H, Iwamoto, T, Takashima, S, Shintani, Y.
Deposit date:2022-04-25
Release date:2022-12-21
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
7XMD
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BU of 7xmd by Molmil
Cryo-EM structure of Cytochrome bo3 from Escherichia coli, the structure complexed with an allosteric inhibitor N4
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, COPPER (II) ION, Cytochrome bo(3) ubiquinol oxidase subunit 1, ...
Authors:Nishida, Y, Shigematsu, H, Iwamoto, T, Takashima, S, Shintani, Y.
Deposit date:2022-04-25
Release date:2022-12-21
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
7XMA
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BU of 7xma by Molmil
Crystal structure of Bovine heart cytochrome c oxidase, apo structure with DMSO
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Takashima, S, Shintani, Y.
Deposit date:2022-04-25
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
7XMB
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BU of 7xmb by Molmil
Crystal structure of Bovine heart cytochrome c oxidase, the structure complexed with an allosteric inhibitor T113
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Nishida, Y, Shinzawa-Itoh, K, Mizuno, N, Kumasaka, T, Yoshikawa, S, Tsukihara, T, Shintani, Y, Takashima, S.
Deposit date:2022-04-25
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases.
Nat Commun, 13, 2022
1ODI
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BU of 1odi by Molmil
Purine nucleoside phosphorylase from Thermus Thermophilus
Descriptor: ADENOSINE, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION
Authors:Tahirov, T.H, Inagaki, E, Miyano, M.
Deposit date:2003-02-19
Release date:2003-02-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase from Thermus Thermophilus
J.Mol.Biol., 337, 2004
1OD6
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BU of 1od6 by Molmil
The Crystal Structure of Phosphopantetheine adenylyltransferase from Thermus Thermophilus in complex with 4'-phosphopantetheine
Descriptor: 4'-PHOSPHOPANTETHEINE, PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE, SULFATE ION
Authors:Takahashi, H, Inagaki, E, Miyano, M, Tahirov, T.H.
Deposit date:2003-02-13
Release date:2003-03-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure and Implications for the Thermal Stability of Phosphopantetheine Adenylyltransferase from Thermus Thermophilus.
Acta Crystallogr.,Sect.D, 60, 2004
1ODK
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BU of 1odk by Molmil
PURINE NUCLEOSIDE PHOSPHORYLASE FROM THERMUS THERMOPHILUS
Descriptor: GLYCEROL, PURINE NUCLEOSIDE PHOSPHORYLASE
Authors:Tahirov, T.H, Inagaki, E, Miyano, M.
Deposit date:2003-02-19
Release date:2003-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase from Thermus Thermophilus
J.Mol.Biol., 337, 2004
1ODJ
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BU of 1odj by Molmil
PURINE NUCLEOSIDE PHOSPHORYLASE FROM THERMUS THERMOPHILUS
Descriptor: GUANOSINE, PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION
Authors:Tahirov, T.H, Inagaki, E, Miyano, M.
Deposit date:2003-02-19
Release date:2003-03-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase from Thermus Thermophilus
J.Mol.Biol., 337, 2004
6D9G
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BU of 6d9g by Molmil
X-ray Structure of the FAB Fragment of 15B8, a Murine Monoclonal Antibody Specific for the Human Serotonin Transporter
Descriptor: Antibody heavy chain Fab, Antibody light chain Fab
Authors:Coleman, J.A, Yang, D, Gouaux, E.
Deposit date:2018-04-29
Release date:2019-04-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Serotonin transporter-ibogaine complexes illuminate mechanisms of inhibition and transport.
Nature, 569, 2019
1ODL
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BU of 1odl by Molmil
PURINE NUCLEOSIDE PHOSPHORYLASE FROM THERMUS THERMOPHILUS
Descriptor: CHLORIDE ION, GLYCEROL, PURINE NUCLEOSIDE PHOSPHORYLASE, ...
Authors:Tahirov, T.H, Inagaki, E, Miyano, M.
Deposit date:2003-02-19
Release date:2003-02-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase from Thermus Thermophilus
J.Mol.Biol., 337, 2004
2BJA
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BU of 2bja by Molmil
Crystal Analysis of 1-Pyrroline-5-Carboxylate Dehydrogenase from Thermus with bound NADH
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE, ...
Authors:Inagaki, E, Tahirov, T.H.
Deposit date:2005-02-01
Release date:2006-03-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Thermus Thermophilus Delta1-Pyrroline-5-Carboxylate Dehydrogenase.
J.Mol.Biol., 362, 2006

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