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3V77
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BU of 3v77 by Molmil
Crystal structure of a putative fumarylacetoacetate isomerase/hydrolase from Oleispira antarctica
分子名称: ACETATE ION, D(-)-TARTARIC ACID, Putative fumarylacetoacetate isomerase/hydrolase, ...
著者Stogios, P.J, Kagan, O, Di Leo, R, Bochkarev, A, Edwards, A.M, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-12-20
公開日2012-01-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
8T5M
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BU of 8t5m by Molmil
SOS2 crystal structure with fragment bound (compound 14)
分子名称: 1,2-ETHANEDIOL, 4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol, SULFATE ION, ...
著者Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J.
登録日2023-06-14
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography.
J.Med.Chem., 67, 2024
8T5G
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BU of 8t5g by Molmil
SOS2 co-crystal structure with fragment bound (compound 12)
分子名称: DIMETHYL SULFOXIDE, SULFATE ION, Son of sevenless homolog 2, ...
著者Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J.
登録日2023-06-13
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography.
J.Med.Chem., 67, 2024
8T5R
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BU of 8t5r by Molmil
SOS2 crystal structure with fragment bound (compound 13)
分子名称: 4-(aminomethyl)benzene-1-sulfonamide, SULFATE ION, Son of sevenless homolog 2
著者Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J.
登録日2023-06-14
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography.
J.Med.Chem., 67, 2024
7SH0
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BU of 7sh0 by Molmil
CRYSTAL STRUCTURE OF ENDOPLASMIC RETICULUM AMINOPEPTIDASE 2 (ERAP2) COMPLEX WITH A HIGHLY SELECTIVE AND POTENT SMALL MOLECULE
分子名称: (2S)-N-hydroxy-3-(4-methoxyphenyl)-2-[4-({[5-(pyridin-2-yl)thiophene-2-sulfonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Li, L, Bouvier, M.
登録日2021-10-07
公開日2022-07-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Discovery of the First Selective Nanomolar Inhibitors of ERAP2 by Kinetic Target-Guided Synthesis.
Angew.Chem.Int.Ed.Engl., 61, 2022
6AVH
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BU of 6avh by Molmil
GH3.15 acyl acid amido synthetase
分子名称: ADENOSINE MONOPHOSPHATE, GH3.15 acyl acid amido synthetase
著者Sherp, A.M, Jez, J.M.
登録日2017-09-02
公開日2018-02-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.011 Å)
主引用文献Arabidopsis thalianaGH3.15 acyl acid amido synthetase has a highly specific substrate preference for the auxin precursor indole-3-butyric acid.
J. Biol. Chem., 293, 2018
7UNJ
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BU of 7unj by Molmil
De novo designed chlorophyll dimer protein with Zn pheophorbide a methyl ester matching geometry of purple bacterial special pair, SP1-ZnPPaM
分子名称: 1,2-ETHANEDIOL, SP1-ZnPPaM designed chlorophyll dimer protein, SULFATE ION, ...
著者Kennedy, M.A, Stoddard, B.L, Ennist, N.M.
登録日2022-04-11
公開日2023-04-19
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
7UNH
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BU of 7unh by Molmil
De novo designed chlorophyll dimer protein in apo state, SP2
分子名称: 1,2-ETHANEDIOL, SP2 designed chlorophyll dimer protein
著者Kennedy, M.A, Stoddard, B.L, Ennist, N.M.
登録日2022-04-11
公開日2023-04-19
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
7UNI
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BU of 7uni by Molmil
De novo designed chlorophyll dimer protein with Zn pheophorbide a methyl ester, SP2-ZnPPaM
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, SP2-ZnPPaM designed chlorophyll dimer protein, ...
著者Kennedy, M.A, Stoddard, B.L, Ennist, N.M.
登録日2022-04-11
公開日2023-04-19
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
8UF2
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BU of 8uf2 by Molmil
Apo SOS2 crystal structure in P1 space group
分子名称: SULFATE ION, Son of sevenless homolog 2
著者Gunn, R.J, Lawson, J.D.
登録日2023-10-03
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography.
J.Med.Chem., 67, 2024
8UC9
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BU of 8uc9 by Molmil
SOS2 co-crystal structure with fragment bound (compound 9)
分子名称: 7-chloroquinolin-4-amine, Son of sevenless homolog 2
著者Gunn, R.J, Lawson, J.D.
登録日2023-09-26
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography.
J.Med.Chem., 67, 2024
8U4W
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BU of 8u4w by Molmil
The crystal structure of a helical domain deleted PARP1 in complex with isoindolinone based inhibitor.
分子名称: (4M)-4-(2-{4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazine-1-carbonyl}-1-benzofuran-7-yl)-1H-isoindol-1-one, Poly [ADP-ribose] polymerase 1, processed C-terminus
著者Marcotte, D.J.
登録日2023-09-11
公開日2024-03-27
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Discovery of Potent Isoindolinone Inhibitors that Target an Active Conformation of PARP1 Using DNA-Encoded Libraries.
Chemmedchem, 19, 2024
8UH0
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BU of 8uh0 by Molmil
SOS2 co-crystal structure with fragment bound (compound 10)
分子名称: 8-hydroxyquinoline-2-carbonitrile, Son of sevenless homolog 2
著者Gunn, R.J, Lawson, J.D.
登録日2023-10-06
公開日2024-01-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography.
J.Med.Chem., 67, 2024
7UKS
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BU of 7uks by Molmil
Crystal structure of SOS1 with phthalazine inhibitor bound (compound 15)
分子名称: 4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine, Son of sevenless homolog 1
著者Gunn, R.J, Lawson, J.D, Ketcham, J.M, Marx, M.A.
登録日2022-04-01
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction.
J.Med.Chem., 65, 2022
7UKR
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BU of 7ukr by Molmil
Crystal Structure of SOS1 with MRTX0902, a Potent and Selective Inhibitor of the SOS1:KRAS Protein-Protein Interaction
分子名称: 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile, Son of sevenless homolog 1
著者Gunn, R.J, Lawson, J.D, Ketcham, J.M, Marx, M.A.
登録日2022-04-01
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction.
J.Med.Chem., 65, 2022
7LEZ
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BU of 7lez by Molmil
Trimeric human Arginase 1 in complex with mAb1 - 2 hArg:2 mAb1 complex
分子名称: Arginase-1, MANGANESE (II) ION, mAb1 heavy chain, ...
著者Gomez-Llorente, Y, Scapin, G, Palte, R.L.
登録日2021-01-15
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (4.15 Å)
主引用文献Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action.
Commun Biol, 4, 2021
7LEY
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BU of 7ley by Molmil
Trimeric human Arginase 1 in complex with mAb5
分子名称: Arginase-1, MANGANESE (II) ION, mAb5 heavy chain, ...
著者Gomez-Llorente, Y, Scapin, G, Palte, R.L.
登録日2021-01-15
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action.
Commun Biol, 4, 2021
7LEX
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BU of 7lex by Molmil
Trimeric human Arginase 1 in complex with mAb1 - 2 hArg:3 mAb1 complex
分子名称: Arginase-1, mAb1 heavy chain, mAb1 light chain
著者Gomez-Llorente, Y, Scapin, G, Palte, R.L.
登録日2021-01-15
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action.
Commun Biol, 4, 2021
7LF0
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BU of 7lf0 by Molmil
Trimeric human Arginase 1 in complex with mAb2
分子名称: Arginase-1, mAb2 heavy chain, mAb2 light chain
著者Gomez-Llorente, Y, Scapin, G, Palte, R.L.
登録日2021-01-15
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action.
Commun Biol, 4, 2021
7LF2
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BU of 7lf2 by Molmil
Trimeric human Arginase 1 in complex with mAb4
分子名称: Arginase-1, MANGANESE (II) ION, mAb4 monoclonal antibody heavy chain, ...
著者Gomez-Llorente, Y, Scapin, G, Palte, R.L.
登録日2021-01-15
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action.
Commun Biol, 4, 2021
7LF1
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BU of 7lf1 by Molmil
Trimeric human Arginase 1 in complex with mAb3
分子名称: Arginase-1, MANGANESE (II) ION, mAb3 heavy chain, ...
著者Gomez-Llorente, Y, Scapin, G, Palte, R.L.
登録日2021-01-15
公開日2021-09-01
実験手法ELECTRON MICROSCOPY (4.04 Å)
主引用文献Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action.
Commun Biol, 4, 2021
3I4Q
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BU of 3i4q by Molmil
Structure of a putative inorganic pyrophosphatase from the oil-degrading bacterium Oleispira antarctica
分子名称: APC40078, SODIUM ION
著者Singer, A.U, Evdokimova, E, Kagan, O, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-07-02
公開日2009-07-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
6R2G
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BU of 6r2g by Molmil
Crystal structure of a single-chain protein mimetic of the gp41 NHR trimer in complex with the synthetic CHR peptide C34
分子名称: Envelope glycoprotein gp160, PHOSPHATE ION, Single-chain protein mimetics of the N-terminal heptad-repeat region of gp41
著者Camara-Artigas, A, Conejero-Lara, F, Jurado, S, Cano-Munoz, M, Morel, B.
登録日2019-03-17
公開日2019-07-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Thermodynamic Analysis of HIV-1 Fusion Inhibition Using Small gp41 Mimetic Proteins.
J.Mol.Biol., 431, 2019
3IRU
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BU of 3iru by Molmil
Crystal structure of phoshonoacetaldehyde hydrolase like protein from Oleispira antarctica
分子名称: SODIUM ION, phoshonoacetaldehyde hydrolase like protein
著者Chang, C, Evdokimova, E, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-08-24
公開日2009-09-01
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
7QQ3
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BU of 7qq3 by Molmil
Cryo-EM structure of the E.coli 50S ribosomal subunit in complex with the antibiotic Myxovalargin A.
分子名称: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Koller, T.O, Beckert, B, Wilson, D.N.
登録日2022-01-06
公開日2023-01-18
最終更新日2023-02-01
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献The Myxobacterial Antibiotic Myxovalargin: Biosynthesis, Structural Revision, Total Synthesis, and Molecular Characterization of Ribosomal Inhibition.
J.Am.Chem.Soc., 145, 2023

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