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5OK6
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BU of 5ok6 by Molmil
Ubiquitin specific protease 11 USP11 - peptide F complex
分子名称: 1,2-ETHANEDIOL, ALA-GLU-GLY-GLU-PHE-TYR-LYS-LEU-LYS-ILE-ARG-THR-PRO-AAR, GLYCEROL, ...
著者Spiliotopoulos, A, Dreveny, I.
登録日2017-07-25
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of peptide ligands targeting a specific ubiquitin-like domain-binding site in the deubiquitinase USP11.
J.Biol.Chem., 294, 2019
5PGU
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BU of 5pgu by Molmil
CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone
分子名称: 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sheriff, S.
登録日2017-02-06
公開日2017-11-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
5PGX
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BU of 5pgx by Molmil
CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(2-BENZYL-6-HYDROXYADAMANTAN-2-YL)-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE
分子名称: 2-(2-BENZYL-6-HYDROXYADAMANTAN-2-YL)-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sheriff, S.
登録日2017-02-06
公開日2017-11-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
5N2P
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BU of 5n2p by Molmil
Sulfolobus solfataricus Tryptophan Synthase A
分子名称: CHLORIDE ION, TETRAETHYLENE GLYCOL, Tryptophan synthase alpha chain
著者Fleming, J, Mayans, O.
登録日2017-02-08
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.059 Å)
主引用文献Evolutionary Morphing of Tryptophan Synthase: Functional Mechanisms for the Enzymatic Channeling of Indole.
J.Mol.Biol., 430, 2018
5PGY
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BU of 5pgy by Molmil
CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336)
分子名称: 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sheriff, S.
登録日2017-02-06
公開日2017-11-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
5PGZ
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BU of 5pgz by Molmil
CRYSTAL STRUCTURE OF MURINE 11BETA- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336)
分子名称: 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Sheriff, S.
登録日2017-02-06
公開日2017-11-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
6PI7
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BU of 6pi7 by Molmil
Crystal structure of the TDRD2 extended Tudor domain in complex with an antibody fragment and the PIWIL1 peptide
分子名称: Fab antigen-binding fragment, Piwi-like protein 1, Tudor and KH domain-containing protein, ...
著者Liu, K, Min, J.R, Structural Genomics Consortium (SGC)
登録日2019-06-26
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Lesson from a Fab-enabled co-crystallization study of TDRD2 and PIWIL1.
Methods, 175, 2020
7SR4
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BU of 7sr4 by Molmil
Single chain trimer HLA-A*02:01 (H98L, Y108C) with HPV.16 E7 peptide YMLDLQPETTDLYC
分子名称: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera, VHH
著者Finton, K.A.K, Rupert, P.B.
登録日2021-11-07
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Effects of HLA single chain trimer design on peptide presentation and stability.
Front Immunol, 14, 2023
7ST3
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BU of 7st3 by Molmil
Consequences of HLA single chain trimer mutations on peptide presentation and binding affinity
分子名称: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera, VHH
著者Finton, K.A.K, Rupert, P.B.
登録日2021-11-11
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Effects of HLA single chain trimer design on peptide presentation and stability.
Front Immunol, 14, 2023
7STG
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BU of 7stg by Molmil
Consequences of HLA single chain trimer mutations on peptide presentation and binding affinity
分子名称: RPA-related protein RADX peptide,Beta-2-microglobulin,MHC class I antigen chimera, VHH
著者Finton, K.A.K, Rupert, P.B.
登録日2021-11-12
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Effects of HLA single chain trimer design on peptide presentation and stability.
Front Immunol, 14, 2023
7SR0
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BU of 7sr0 by Molmil
Single chain trimer HLA-A*02:01 (H98L, Y108C) with HPV.16 E7 peptide YMLDLQPET
分子名称: PHOSPHATE ION, Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera, VHH
著者Finton, K.A.K, Rupert, P.B.
登録日2021-11-07
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Effects of HLA single chain trimer design on peptide presentation and stability.
Front Immunol, 14, 2023
7SR3
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BU of 7sr3 by Molmil
Single chain trimer HLA-A*02:01 (H98L, Y108C) with HPV.16 E7 peptide YMLDLQPETTDL
分子名称: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera, VHH
著者Finton, K.A.K, Rupert, P.B.
登録日2021-11-07
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Effects of HLA single chain trimer design on peptide presentation and stability.
Front Immunol, 14, 2023
7SR5
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BU of 7sr5 by Molmil
Single chain trimer HLA-A*02:01 (Y108C, A163C) with Wilms tumor protein peptide RMFPNAPYL
分子名称: VHH, Wilms tumor protein peptide,Beta-2-microglobulin,MHC class I antigen chimera
著者Finton, K.A.K, Rupert, P.B.
登録日2021-11-07
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Effects of HLA single chain trimer design on peptide presentation and stability.
Front Immunol, 14, 2023
7SSH
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BU of 7ssh by Molmil
Single chain trimer HLA-A*02:01 (Y108A) with HPV.16 E7 peptide YMLDLQPETTDLYC
分子名称: Protein E7 peptide,Beta-2-microglobulin,MHC class I antigen chimera, VHH
著者Finton, K.A.K, Rupert, P.B.
登録日2021-11-11
公開日2022-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Effects of HLA single chain trimer design on peptide presentation and stability.
Front Immunol, 14, 2023
7T3E
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BU of 7t3e by Molmil
Structure of the sialic acid bound Tripartite ATP-independent Periplasmic (TRAP) periplasmic component SiaP from Photobacterium profundum
分子名称: N-acetyl-beta-neuraminic acid, SULFATE ION, TRAP-type C4-dicarboxylate transport system, ...
著者Davies, J.S, Currie, M.J, North, R.A, Dobson, R.C.J.
登録日2021-12-07
公開日2022-12-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Structure and mechanism of a tripartite ATP-independent periplasmic TRAP transporter.
Nat Commun, 14, 2023
7T1D
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BU of 7t1d by Molmil
Human SIRT2 in complex with small molecule 359
分子名称: 1,2-ETHANEDIOL, 7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline, DIMETHYL SULFOXIDE, ...
著者Kulp, J.L, Remiszewski, S, Todd, M, Chiang, L.W.
登録日2021-12-01
公開日2023-05-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献An allosteric inhibitor of sirtuin 2 deacetylase activity exhibits broad-spectrum antiviral activity.
J.Clin.Invest., 133, 2023
7SQB
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BU of 7sqb by Molmil
PPAR gamma LBD bound to Inverse Agonist SR10221
分子名称: (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Frkic, R.L, Pederick, J.L, Bruning, J.B.
登録日2021-11-05
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles.
Acs Chem.Biol., 18, 2023
7SQA
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PPAR gamma LBD bound to SR10221 and SMRT corepressor motif
分子名称: (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
著者Frkic, R.L, Pederick, J.L, Bruning, J.B.
登録日2021-11-05
公開日2023-05-10
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles.
Acs Chem.Biol., 18, 2023
7TLY
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BU of 7tly by Molmil
SARS-CoV-2 S B.1.1.529 Omicron variant (RBD + S309 Local Refinement)
分子名称: S309 Fab heavy chain, S309 Fab light chain, Spike glycoprotein, ...
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-01-19
公開日2022-02-02
最終更新日2022-03-09
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of SARS-CoV-2 Omicron immune evasion and receptor engagement.
Science, 375, 2022
7TLZ
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BU of 7tlz by Molmil
SARS-CoV-2 S NTD B.1.1.529 Omicron variant + S309 Local Refinement
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Fab heavy chain, S2L20 Fab light chain, ...
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-01-19
公開日2022-02-02
最終更新日2022-03-09
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of SARS-CoV-2 Omicron immune evasion and receptor engagement.
Science, 375, 2022
7TM0
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BU of 7tm0 by Molmil
SARS-CoV-2 S B.1.1.529 Omicron variant + S309 + S2L20 Global Refinement
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Fab heavy chain, ...
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-01-19
公開日2022-02-02
最終更新日2022-03-09
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis of SARS-CoV-2 Omicron immune evasion and receptor engagement.
Science, 375, 2022
7U0D
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BU of 7u0d by Molmil
Local refinement of cryo-EM structure of the interface of the Omicron RBD in complex with antibodies B-182.1 and A19-46.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 antibody A19-46.1, Heavy chain of SARS-CoV-2 antibody B1-182.1, ...
著者Zhou, T, kwong, P.D.
登録日2022-02-17
公開日2022-03-30
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7TTP
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BU of 7ttp by Molmil
P450 (OxyA) from kistamicin biosynthesis, mixed heme conformation
分子名称: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 hydroxylase
著者Greule, A, Izore, T, Cryle, M.J.
登録日2022-02-01
公開日2022-05-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage.
Front Chem, 10, 2022
7TTA
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P450 (OxyA) from kistamicin biosynthesis, mixed heme conformation, attenuated beam
分子名称: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 hydroxylase
著者Greule, A, Izore, T, Cryle, M.J.
登録日2022-02-01
公開日2022-05-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage.
Front Chem, 10, 2022
7TTQ
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P450 (OxyA) from kistamicin biosynthesis, imidazole complex
分子名称: GLYCEROL, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Greule, A, Izore, T, Cryle, M.J.
登録日2022-02-01
公開日2022-05-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献The Cytochrome P450 OxyA from the Kistamicin Biosynthesis Cyclization Cascade is Highly Sensitive to Oxidative Damage.
Front Chem, 10, 2022

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