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8P45
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Crystal structure of human STING in complex with the agonist MD1202D
分子名称: 9-[(1~{S},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein
著者Klima, M, Boura, E.
登録日2023-05-19
公開日2023-12-20
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (3.23 Å)
主引用文献Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function.
Structure, 32, 2024
8ORW
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Crystal structure of human STING in complex with the agonist MD1203
分子名称: 9-[(1~{S},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon protein
著者Klima, M, Boura, E.
登録日2023-04-17
公開日2023-12-20
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function.
Structure, 32, 2024
4DLD
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BU of 4dld by Molmil
Crystal structure of the GluK1 ligand-binding domain (S1S2) in complex with the antagonist (S)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid at 2.0 A resolution
分子名称: (S)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid, CHLORIDE ION, GLYCEROL, ...
著者Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
登録日2012-02-06
公開日2012-10-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and pharmacological characterization of phenylalanine-based AMPA receptor antagonists at kainate receptors
Chemmedchem, 7, 2012
6MK0
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BU of 6mk0 by Molmil
Integrin AlphaVBeta3 ectodomain bound to antagonist TDI-4161
分子名称: (2S)-2-[(1,3-benzothiazole-2-carbonyl)amino]-4-{[5-(1,8-naphthyridin-2-yl)pentanoyl]amino}butanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者van Agthoven, J, Arnaout, M.A.
登録日2018-09-24
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.005 Å)
主引用文献Novel Pure alphaVbeta3 Integrin Antagonists That Do Not Induce Receptor Extension, Prime the Receptor, or Enhance Angiogenesis at Low Concentrations
Acs Pharmacol Transl Sci, 2, 2019
6JC7
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BU of 6jc7 by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with amino donor L-Ala
分子名称: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, ACETIC ACID, CrmG, ...
著者Xu, J, Su, K, Liu, J.
登録日2019-01-28
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
6JC9
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BU of 6jc9 by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with amino donor L-Gln
分子名称: ACETIC ACID, CrmG, GLUTAMINE, ...
著者Xu, J, Liu, J.
登録日2019-01-28
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
6JCB
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Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in C2 space group
分子名称: CrmG
著者Xu, J, Liu, J.
登録日2019-01-28
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
6QS8
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ClpB (DWB and K476C mutant) bound to casein in presence of ATPgammaS - state KC-2B
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, MAGNESIUM ION, ...
著者Deville, C, Saibil, H.R.
登録日2019-02-20
公開日2019-07-03
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
4JD5
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BU of 4jd5 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403E
分子名称: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
著者Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
登録日2013-02-23
公開日2013-05-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
6RN2
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BU of 6rn2 by Molmil
ClpB (DWB mutant) bound to casein in presence of ATPgammaS - state WT-1
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Deville, C, Saibil, H.R.
登録日2019-05-07
公開日2019-07-03
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
6QS4
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BU of 6qs4 by Molmil
Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Deville, C, Saibil, H.R.
登録日2019-02-20
公開日2019-07-03
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
4GPE
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BU of 4gpe by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403M
分子名称: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
著者Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
登録日2012-08-20
公開日2013-05-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
6JCA
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BU of 6jca by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in I222 space group
分子名称: CHLORIDE ION, CrmG, GLYCEROL, ...
著者Xu, J, Liu, J.
登録日2019-01-28
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
4GP9
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BU of 4gp9 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403F
分子名称: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
著者Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
登録日2012-08-20
公開日2013-05-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
6QS7
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BU of 6qs7 by Molmil
ClpB (DWB and K476C mutant) bound to casein in presence of ATPgammaS - state KC-2A
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, MAGNESIUM ION, ...
著者Deville, C, Saibil, H.R.
登録日2019-02-20
公開日2019-07-03
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
6QS6
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BU of 6qs6 by Molmil
ClpB (DWB and K476C mutant) bound to casein in presence of ATPgammaS - state KC-1
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Deville, C, Saibil, H.R.
登録日2019-02-20
公開日2019-07-03
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
5KUH
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BU of 5kuh by Molmil
GluK2EM with LY466195
分子名称: (3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid, Glutamate receptor ionotropic, kainate 2
著者Meyerson, J.R, Chittori, S, Merk, A, Rao, P, Han, T.H, Serpe, M, Mayer, M.L, Subramaniam, S.
登録日2016-07-13
公開日2016-09-07
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (11.6 Å)
主引用文献Structural basis of kainate subtype glutamate receptor desensitization.
Nature, 537, 2016
6RN4
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BU of 6rn4 by Molmil
ClpB (DWB mutant) bound to casein in presence of ATPgammaS - state WT-2B
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Deville, C, Saibil, H.R.
登録日2019-05-08
公開日2019-07-03
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
6RN3
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BU of 6rn3 by Molmil
ClpB (DWB mutant) bound to casein in presence of ATPgammaS - state WT-2A
分子名称: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Deville, C, Saibil, H.R.
登録日2019-05-07
公開日2019-07-03
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
4I61
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BU of 4i61 by Molmil
Crystal structure of a trimeric bacterial microcompartment shell protein PduB
分子名称: Propanediol utilization protein PduB
著者Pang, A.H, Pickersgill, R.W.
登録日2012-11-29
公開日2014-03-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Propionaldehyde does not bind to PduB
To be Published
4I0G
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BU of 4i0g by Molmil
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
分子名称: 3-(4-bromothiophen-3-yl)-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine, Beta-secretase 1, ZINC ION
著者Yao, N, Brecht, E.
登録日2012-11-16
公開日2013-03-06
最終更新日2013-04-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
6JC8
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BU of 6jc8 by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with amino donor L-Glu
分子名称: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid, CrmG, GLYCEROL
著者Xu, J, Liu, J.
登録日2019-01-28
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
5WFE
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BU of 5wfe by Molmil
Cas1-Cas2-IHF-DNA holo-complex
分子名称: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (28-MER), ...
著者Wright, A.V, Liu, J.J, Nogales, E, Doudna, J.A.
登録日2017-07-11
公開日2017-08-02
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Structures of the CRISPR genome integration complex.
Science, 357, 2017
8FS5
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BU of 8fs5 by Molmil
Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 10-nt gapped DNA in step 3 (open 9-1-1 and stably bound chamber DNA)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ...
著者Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H.
登録日2023-01-09
公開日2023-06-14
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology.
Biorxiv, 2023
8FS4
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BU of 8fs4 by Molmil
Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 10-nt gapped DNA in step 2 (open 9-1-1 ring and flexibly bound chamber DNA)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ...
著者Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H.
登録日2023-01-09
公開日2023-06-14
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology.
Biorxiv, 2023

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件を2024-09-25に公開中

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