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5MZH
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Crystal structure of ODA16 from Chlamydomonas reinhardtii
分子名称: Dynein assembly factor with WDR repeat domains 1, SULFATE ION
著者Lorentzen, E, Taschner, M, Basquin, J, Mourao, A.
登録日2017-01-31
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.398 Å)
主引用文献Structural basis of outer dynein arm intraflagellar transport by the transport adaptor protein ODA16 and the intraflagellar transport protein IFT46.
J. Biol. Chem., 292, 2017
5A8O
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BU of 5a8o by Molmil
Crystal structure of beta-glucanase SdGluc5_26A from Saccharophagus degradans in complex with cellotetraose
分子名称: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
著者Sulzenbacher, G, Lafond, M, Freyd, T, Henrissat, B, Coutinho, R.M, Berrin, J.G, Garron, M.L.
登録日2015-07-16
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Quaternary Structure of a Glycoside Hydrolase Dictates Specificity Towards Beta-Glucans
J.Biol.Chem., 291, 2016
5Z9C
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BU of 5z9c by Molmil
Solution NMR structures of BRD4 first bromodomain with small compound MMQO
分子名称: 8-methoxy-6-methylquinolin-4(1H)-one, Bromodomain-containing protein 4
著者Zeng, L, Zhou, M.-M.
登録日2018-02-02
公開日2018-02-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A New Quinoline BRD4 Inhibitor Targets a Distinct Latent HIV-1 Reservoir for Reactivation from Other "Shock" Drugs.
J. Virol., 92, 2018
8JYV
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BU of 8jyv by Molmil
Crystal structure of the gasdermin from Trichoplax adhaerens
分子名称: Gasdermin pore forming domain-containing protein
著者Zeng, H, Hou, Y.J, Ding, J.
登録日2023-07-04
公開日2024-05-01
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Cleavage-independent activation of ancient eukaryotic gasdermins and structural mechanisms.
Science, 384, 2024
6ZNC
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Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (I)
分子名称: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ...
著者Rozenberg, H, Degtjarik, O, Diskin-Posner, Y, Shakked, Z.
登録日2020-07-06
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
7B4D
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Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273C/S240R double mutant bound to DNA and MQ: R273C/S240R-DNA-MQ
分子名称: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ...
著者Rozenberg, H, Diskin-Posner, Y, Degtjarik, O, Shakked, Z.
登録日2020-12-02
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
7B4N
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Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (II)
分子名称: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, Cellular tumor antigen p53, ...
著者Rozenberg, H, Diskin-Posner, Y, Degtjarik, O, Shakked, Z.
登録日2020-12-02
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
7B49
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Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273H mutant bound to DNA and MQ: R273H-DNA-MQ
分子名称: (2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one, 1,2-ETHANEDIOL, ...
著者Rozenberg, H, Degtjarik, O, Shakked, Z.
登録日2020-12-02
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
7B4F
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BU of 7b4f by Molmil
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R282W mutant bound to DNA: R282W-MQ (I)
分子名称: Cellular tumor antigen p53, DNA target, FORMIC ACID, ...
著者Rozenberg, H, Degtjarik, O, Shakked, Z.
登録日2020-12-02
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Nat Commun, 12, 2021
4P3D
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BU of 4p3d by Molmil
MT1-MMP:Fab complex (Form II)
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Rozenberg, H, Udi, Y, Sagi, I.
登録日2014-03-07
公開日2014-12-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献Inhibition mechanism of membrane metalloprotease by an exosite-swiveling conformational antibody.
Structure, 23, 2015
6MNL
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BU of 6mnl by Molmil
NMR solution structures of second bromodomain of BRD4 with FOXO3a peptide
分子名称: Bromodomain-containing protein 4, FOXO3a peptide
著者Zeng, L, Zhou, M.-M.
登録日2018-10-02
公開日2018-10-31
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Targeting the BRD4/FOXO3a/CDK6 axis sensitizes AKT inhibition in luminal breast cancer.
Nat Commun, 9, 2018
3ZFY
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BU of 3zfy by Molmil
Crystal structure of EphB3
分子名称: EPHRIN TYPE-B RECEPTOR 3
著者Debreczeni, J.E, Overman, R, Truman, C, McAlister, M, Attwood, T.K.
登録日2012-12-12
公開日2014-01-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Completing the Structural Family Portrait of the Human Ephb Tyrosine Kinase Domains
Protein Sci., 23, 2014
4P3C
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BU of 4p3c by Molmil
MT1-MMP:Fab complex (Form I)
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
著者Rozenberg, H, Udi, Y, Sagi, I.
登録日2014-03-06
公開日2014-12-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.943 Å)
主引用文献Inhibition mechanism of membrane metalloprotease by an exosite-swiveling conformational antibody.
Structure, 23, 2015
3ZFX
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BU of 3zfx by Molmil
Crystal structure of EphB1
分子名称: EPHRIN TYPE-B RECEPTOR 1, SULFATE ION
著者Debreczeni, J.E, Overman, R, Truman, C, McAlister, M, Attwood, T.K.
登録日2012-12-12
公開日2014-01-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Completing the Structural Family Portrait of the Human Ephb Tyrosine Kinase Domains
Protein Sci., 23, 2014
6CBY
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BU of 6cby by Molmil
Crystal structure of human SET and MYND Domain Containing protein 2 with MTF9975
分子名称: N-lysine methyltransferase SMYD2, ZINC ION, [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone
著者ZENG, H, DONG, A, Hutchinson, A, Seitova, A, TATLOCK, J, KUMPF, R, OWEN, A, TAYLOR, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2018-02-05
公開日2018-03-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase.
J.Med.Chem., 62, 2019
3ZFM
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BU of 3zfm by Molmil
Crystal structure of EphB2
分子名称: EPHRIN TYPE-B RECEPTOR 2
著者Debreczeni, J.E, Overman, R, Truman, C, McAlister, M, Attwood, T.K.
登録日2012-12-12
公開日2014-01-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Completing the Structural Family Portrait of the Human Ephb Tyrosine Kinase Domains
Protein Sci., 23, 2014
3ZEW
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BU of 3zew by Molmil
Crystal structure of EphB4 in complex with staurosporine
分子名称: EPHRIN TYPE-B RECEPTOR 4, STAUROSPORINE, SULFATE ION
著者Debreczeni, J.E, Overman, R, Truman, C, McAlister, M, Attwood, T.K.
登録日2012-12-07
公開日2013-12-25
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Completing the Structural Family Portrait of the Human Ephb Tyrosine Kinase Domains
Protein Sci., 23, 2014
4JSZ
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BU of 4jsz by Molmil
Benzenesulfonamide bound to hCAII H94C
分子名称: Carbonic anhydrase 2, ZINC ION, benzenesulfonamide
著者Martin, D.P, Hann, Z.S, Cohen, S.M.
登録日2013-03-22
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site.
Inorg.Chem., 52, 2013
4JSA
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BU of 4jsa by Molmil
Benzenesulfonamide complexed with hCAII H94D
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, SULFATE ION, ...
著者Martin, D.P, Hann, Z.S, Cohen, S.M.
登録日2013-03-22
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site.
Inorg.Chem., 52, 2013
6R0G
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BU of 6r0g by Molmil
Getah virus macro domain in complex with ADPr, pose 2
分子名称: ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural polyprotein
著者Sulzenbacher, G, Ferreira Ramos, A.S, Coutard, B.
登録日2019-03-12
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography.
Sci Rep, 10, 2020
6R0P
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BU of 6r0p by Molmil
Getah virus macro domain in complex with ADPr in double open conformation
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Non-structural polyprotein, ...
著者Sulzenbacher, G, Ferreira Ramos, A.S, Coutard, B.
登録日2019-03-13
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography.
Sci Rep, 10, 2020
6R0F
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BU of 6r0f by Molmil
Getah virus macro domain in complex with ADPr, pose 1
分子名称: Non-structural polyprotein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
著者Sulzenbacher, G, Ferreira Ramos, A.S, Coutard, B.
登録日2019-03-12
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography.
Sci Rep, 10, 2020
2YFO
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BU of 2yfo by Molmil
GALACTOSIDASE DOMAIN OF ALPHA-GALACTOSIDASE-SUCROSE KINASE, AGASK, in complex with galactose
分子名称: ALPHA-GALACTOSIDASE-SUCROSE KINASE AGASK, GLYCEROL, PHOSPHATE ION, ...
著者Sulzenbacher, G, Bruel, L, Tison-Cervera, M, Pujol, A, Nicoletti, C, Perrier, J, Galinier, A, Ropartz, D, Fons, M, Pompeo, F, Giardina, T.
登録日2011-04-07
公開日2011-09-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Agask, a Bifunctional Enzyme from the Human Microbiome Coupling Galactosidase and Kinase Activities
J.Biol.Chem., 286, 2011
8HHT
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BU of 8hht by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide
著者Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
登録日2022-11-17
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
8HHU
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BU of 8hhu by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with SY110
分子名称: (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5
著者Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
登録日2022-11-17
公開日2023-03-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.258 Å)
主引用文献A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023

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