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8J9G
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BU of 8j9g by Molmil
CrtSPARTA hetero-dimer bound with guide-target, state 1
Descriptor: DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ...
Authors:Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R.
Deposit date:2023-05-03
Release date:2024-03-06
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
8J8H
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BU of 8j8h by Molmil
SPARTA monomer bound with guide-target, state 2
Descriptor: DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ...
Authors:Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R.
Deposit date:2023-05-01
Release date:2024-03-06
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
8J9P
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BU of 8j9p by Molmil
SPARTA dimer bound with guide-target
Descriptor: DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ...
Authors:Li, Z.X, Guo, L.J, Huang, P.P, Xiao, Y.B, Chen, M.R.
Deposit date:2023-05-04
Release date:2024-03-06
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system.
Nat.Chem.Biol., 20, 2024
4LY9
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BU of 4ly9 by Molmil
Human GKRP complexed to AMG-1694 [(2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol] and sorbitol-6-phosphate
Descriptor: (2R)-1,1,1-trifluoro-2-{4-[(2S)-2-{[(3S)-3-methylmorpholin-4-yl]methyl}-4-(thiophen-2-ylsulfonyl)piperazin-1-yl]phenyl}propan-2-ol, D-SORBITOL-6-PHOSPHATE, GLYCEROL, ...
Authors:Jordan, S.R.
Deposit date:2013-07-30
Release date:2013-11-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Antidiabetic effects of glucokinase regulatory protein small-molecule disruptors.
Nature, 504, 2013
7TCC
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BU of 7tcc by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike in complex with antibodies A19-46.1 and B1-182.1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody A19-46.1, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2021-12-23
Release date:2022-03-30
Last modified:2022-10-19
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7TBF
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BU of 7tbf by Molmil
Locally refined region of SARS-CoV-2 spike in complex with antibodies B1-182.1 and A19-61.1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 antibody A19-61.1, Heavy chain of SARS-CoV-2 antibody B1-182.1, ...
Authors:Zhou, T, Tsybovsky, T, Kwong, P.D.
Deposit date:2021-12-21
Release date:2022-03-30
Last modified:2022-10-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7TB8
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BU of 7tb8 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with antibodies B1-182.1 and A19-61.1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhou, T, Tsybovsky, T, Kwong, P.D.
Deposit date:2021-12-21
Release date:2022-03-30
Last modified:2022-10-19
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7TC9
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BU of 7tc9 by Molmil
Locally refined region of SARS-CoV-2 spike in complex with antibody A19-46.1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody A19-46.1, Light chain of antibody A19-46.1, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2021-12-23
Release date:2022-03-30
Last modified:2022-10-19
Method:ELECTRON MICROSCOPY (5.08 Å)
Cite:Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7TCA
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BU of 7tca by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike in complex with antibody A19-46.1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody A19-46.1, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2021-12-23
Release date:2022-03-30
Last modified:2022-10-19
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
3CHQ
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BU of 3chq by Molmil
Crystal structure of leukotriene a4 hydrolase in complex with N5-[4-(phenylmethoxy)phenyl]-L-glutamine
Descriptor: (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Thunnissen, M.M.G.M, Adler, M, Whitlow, M.
Deposit date:2008-03-10
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.
Bioorg.Med.Chem., 16, 2008
3CHR
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BU of 3chr by Molmil
Crystal structure of leukotriene A4 hydrolase in complex with 4-amino-N-[4-(phenylmethoxy)phenyl]-butanamide
Descriptor: 4-amino-N-[4-(benzyloxy)phenyl]butanamide, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Thunnissen, M.M.G.M, Adler, M, Whitlow, M.
Deposit date:2008-03-10
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.
Bioorg.Med.Chem., 16, 2008
3CHS
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BU of 3chs by Molmil
Crystal structure of leukotriene A4 hydrolase in complex with (2S)-2-amino-5-[[4-[(2S)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid
Descriptor: (2S)-2-amino-5-[[4-[(2S)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Thunnissen, M.M.G.M, Adler, M, Whitlow, M.
Deposit date:2008-03-10
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.
Bioorg.Med.Chem., 16, 2008
3CHO
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BU of 3cho by Molmil
Crystal structure of leukotriene a4 hydrolase in complex with 2-amino-N-[4-(phenylmethoxy)phenyl]-acetamide
Descriptor: ACETATE ION, Leukotriene A-4 hydrolase, N-[4-(benzyloxy)phenyl]glycinamide, ...
Authors:Thunnissen, M.M.G.M, Adler, M, Whitlow, M.
Deposit date:2008-03-10
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.
Bioorg.Med.Chem., 16, 2008
3CHP
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BU of 3chp by Molmil
Crystal structure of leukotriene a4 hydrolase in complex with (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid
Descriptor: (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid, ACETATE ION, IMIDAZOLE, ...
Authors:Thunnissen, M.M.G.M, Adler, M, Whitlow, M.
Deposit date:2008-03-10
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.
Bioorg.Med.Chem., 16, 2008
2RBE
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BU of 2rbe by Molmil
The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors
Descriptor: (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J, Jordan, S.R, Li, V.
Deposit date:2007-09-18
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
3BYZ
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BU of 3byz by Molmil
2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11-Hydroxysteroid Dehydrogenase Type 1 Inhibitors
Descriptor: (5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J, Jordan, S.R, Li, V.
Deposit date:2008-01-16
Release date:2008-02-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:2-amino-1,3-thiazol-4(5H)-ones as potent and selective 11beta-hydroxysteroid dehydrogenase type 1 inhibitors: enzyme-ligand co-crystal structure and demonstration of pharmacodynamic effects in C57Bl/6 mice.
J.Med.Chem., 51, 2008
4MMR
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BU of 4mmr by Molmil
Crystal Structure of Prefusion-stabilized RSV F Variant Cav1 at pH 9.5
Descriptor: Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2
Authors:Stewart-Jones, G.B.E, McLellan, J.S, Joyce, M.G, Sastry, M, Yang, Y, Graham, B.S, Kwong, P.D.
Deposit date:2013-09-09
Release date:2013-11-20
Last modified:2021-06-02
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-based design of a fusion glycoprotein vaccine for respiratory syncytial virus.
Science, 342, 2013
4MMS
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BU of 4mms by Molmil
Crystal Structure of Prefusion-stabilized RSV F Variant Cav1 at pH 5.5
Descriptor: Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2, SULFATE ION
Authors:Mclellan, J.S, Joyce, M.G, Stewart-Jones, G.B.E, Sastry, M, Yang, Y, Graham, B.S, Kwong, P.D.
Deposit date:2013-09-09
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Structure-based design of a fusion glycoprotein vaccine for respiratory syncytial virus.
Science, 342, 2013
4MMV
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BU of 4mmv by Molmil
Crystal Structure of Prefusion-stabilized RSV F Variant DS-Cav1-TriC at pH 9.5
Descriptor: Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2
Authors:Stewart-Jones, G.B.E, McLellan, J.S, Joyce, M.G, Sastry, M, Yang, Y, Graham, B.S, Kwong, P.D.
Deposit date:2013-09-09
Release date:2013-11-20
Last modified:2021-06-02
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structure-based design of a fusion glycoprotein vaccine for respiratory syncytial virus.
Science, 342, 2013
4MMU
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BU of 4mmu by Molmil
Crystal Structure of Prefusion-stabilized RSV F Variant DS-Cav1 at pH 5.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2, ...
Authors:Joyce, M.G, Mclellan, J.S, Stewart-Jones, G.B.E, Sastry, M, Yang, Y, Graham, B.S, Kwong, P.D.
Deposit date:2013-09-09
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-based design of a fusion glycoprotein vaccine for respiratory syncytial virus.
Science, 342, 2013
4MMT
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BU of 4mmt by Molmil
Crystal Structure of Prefusion-stabilized RSV F Variant DS-Cav1 at pH 9.5
Descriptor: Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2
Authors:Joyce, M.G, Mclellan, J.S, Stewart-Jones, G.B.E, Sastry, M, Yang, Y, Graham, B.S, Kwong, P.D.
Deposit date:2013-09-09
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structure-based design of a fusion glycoprotein vaccine for respiratory syncytial virus.
Science, 342, 2013
4MMQ
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BU of 4mmq by Molmil
Crystal Structure of Prefusion-stabilized RSV F Variant DS
Descriptor: Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2, SULFATE ION
Authors:Mclellan, J.S, Joyce, M.G, Stewart-Jones, G.B.E, Sastry, M, Yang, Y, Graham, B.S, Kwong, P.D.
Deposit date:2013-09-09
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.253 Å)
Cite:Structure-based design of a fusion glycoprotein vaccine for respiratory syncytial virus.
Science, 342, 2013
4N6J
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BU of 4n6j by Molmil
Crystal structure of human Striatin-3 coiled coil domain
Descriptor: Striatin-3
Authors:Chen, C, Shi, Z, Zhou, Z.
Deposit date:2013-10-13
Release date:2014-02-26
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Striatins contain a noncanonical coiled coil that binds protein phosphatase 2A A subunit to form a 2:2 heterotetrameric core of striatin-interacting phosphatase and kinase (STRIPAK) complex.
J.Biol.Chem., 289, 2014
6CN5
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BU of 6cn5 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA LIGAND- BINDING DOMAIN IN COMPLEX WITH INDOLE LIGAND CP9b IN INVERSE AGONIST CONFORMATION
Descriptor: 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide, Nuclear receptor ROR-gamma
Authors:Kauppi, B, Vajdos, F.
Deposit date:2018-03-07
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
6CN6
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BU of 6cn6 by Molmil
RORC2 LBD complexed with compound 34
Descriptor: 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma
Authors:Kauppi, B, Vajdos, F.
Deposit date:2018-03-07
Release date:2018-09-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018

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