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7YFM
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BU of 7yfm by Molmil
Structure of GluN1b-GluN2D NMDA receptor in complex with agonists glycine and glutamate.
分子名称: Glutamate receptor ionotropic, NMDA 2D, Isoform 6 of Glutamate receptor ionotropic, ...
著者Zhang, J.L, Zhu, S.J, Zhang, M.
登録日2022-07-08
公開日2023-03-29
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (5.1 Å)
主引用文献Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits.
Nat.Struct.Mol.Biol., 30, 2023
7YKS
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BU of 7yks by Molmil
Structure of TRPA1 in Drosophila melanogaster in a state with 5 ankyrin repeats determined
分子名称: Transient receptor potential cation channel subfamily A member 1
著者Sun, L, Liu, X, Yang, Z, Wang, X.
登録日2022-07-23
公開日2023-07-26
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Molecular architecture and gating mechanisms of the Drosophila TRPA1 channel.
Cell Discov, 9, 2023
7YKR
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Structure of TRPA1 in Drosophila melanogaster in a state with 17 ankyrin repeats determined
分子名称: Transient receptor potential cation channel subfamily A member 1
著者Sun, L, Liu, X, Yang, Z, Wang, X.
登録日2022-07-23
公開日2023-07-26
最終更新日2024-02-07
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular architecture and gating mechanisms of the Drosophila TRPA1 channel.
Cell Discov, 9, 2023
6AFK
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BU of 6afk by Molmil
Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor
分子名称: N-{(3S)-1-[3-(pyridin-4-yl)-1H-pyrazol-5-yl]piperidin-3-yl}-1H-indole-2-carboxamide, S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase
著者Zhong, W, Koay, A, Wong, Y.W, Sahili, A.E, Nah, Q, Kang, C, Poulsen, A, Chionh, Y.K, McBee, M, Matter, A, Hill, J, Lescar, J, Dedon, P.C.
登録日2018-08-08
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Targeting the Bacterial Epitranscriptome for Antibiotic Development: Discovery of Novel tRNA-(N1G37) Methyltransferase (TrmD) Inhibitors.
Acs Infect Dis., 5, 2019
6BUU
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BU of 6buu by Molmil
Crystal structure of AKT1 (aa 144-480) with a bisubstrate
分子名称: GLY-ARG-PRO-ARG-THR-THR-ZXW-PHE-ALA-GLU, MANGANESE (II) ION, RAC-alpha serine/threonine-protein kinase, ...
著者Chu, N, Gabelli, S.B, Cole, P.A.
登録日2017-12-11
公開日2018-08-22
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis.
Cell, 174, 2018
6ALC
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BU of 6alc by Molmil
CREBBP bromodomain in complex with Cpd 4 (1-(1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
分子名称: 1,2-ETHANEDIOL, 1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one, CREB-binding protein, ...
著者Murray, J.M.
登録日2017-08-07
公開日2018-08-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献Design and synthesis of a biaryl series as inhibitors for the bromodomains of CBP/P300.
Bioorg. Med. Chem. Lett., 28, 2018
3O6O
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BU of 3o6o by Molmil
Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of an the inhibitor BIIB021
分子名称: 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein 83, PENTAETHYLENE GLYCOL
著者Wernimont, A.K, Hutchinson, A, Sullivan, H, Weadge, J, Li, Y, Kozieradzki, I, Cossar, D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P, Fairlamb, A.H, Ferguson, M.A.J, Thompson, S, MacKenzie, C, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
登録日2010-07-29
公開日2010-08-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design.
PLoS Negl Trop Dis, 7, 2013
2H8R
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BU of 2h8r by Molmil
Hepatocyte Nuclear Factor 1b bound to DNA: MODY5 Gene Product
分子名称: 5'-D(*CP*TP*TP*GP*GP*TP*TP*AP*AP*TP*AP*AP*TP*TP*CP*AP*CP*CP*AP*G)-3', 5'-D(*GP*CP*TP*GP*GP*TP*GP*AP*AP*TP*TP*AP*TP*TP*AP*AP*CP*CP*AP*A)-3', Hepatocyte nuclear factor 1-beta
著者Lu, P, Rha, G.B, Chi, Y.I.
登録日2006-06-07
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis of disease-causing mutations in hepatocyte nuclear factor 1beta.
Biochemistry, 46, 2007
3OPD
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BU of 3opd by Molmil
Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of a benzamide derivative
分子名称: 4-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-2-[(cis-4-hydroxycyclohexyl)amino]benzamide, Heat shock protein 83
著者Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Sullivan, H, Chamberlain, K, Weadge, J, Cossar, D, Li, Y, Kozieradzki, I, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P.G, Fairlamb, A.H, MacKenzie, C, Ferguson, M.A.J, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
登録日2010-08-31
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design.
PLoS Negl Trop Dis, 7, 2013
3OMU
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BU of 3omu by Molmil
Crystal Structure of the N-terminal domain of an HSP90 from Trypanosoma Brucei, Tb10.26.1080 in the presence of a thienopyrimidine derivative
分子名称: 2-amino-4-{2,4-dichloro-5-[2-(diethylamino)ethoxy]phenyl}-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide, Heat shock protein 83
著者Wernimont, A.K, Hutchinson, A, Sullivan, H, Weadge, J, Cossar, D, Li, Y, Kozieradzki, I, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Wyatt, P.G, Fairlamb, A.H, MacKenzie, C, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC)
登録日2010-08-27
公開日2010-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design.
PLoS Negl Trop Dis, 7, 2013
2FXO
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BU of 2fxo by Molmil
Structure of the human beta-myosin S2 fragment
分子名称: Myosin heavy chain, cardiac muscle beta isoform
著者Blankenfeldt, W, Thoma, N.H, Wray, J.S, Gautel, M, Schlichting, I.
登録日2006-02-06
公開日2006-11-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of human cardiac {beta}-myosin II S2-{Delta} provide insight into the functional role of the S2 subfragment
Proc.Natl.Acad.Sci.Usa, 103, 2006
2FXM
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BU of 2fxm by Molmil
Structure of the human beta-myosin S2 fragment
分子名称: MERCURY (II) ION, Myosin heavy chain, cardiac muscle beta isoform
著者Blankenfeldt, W, Thoma, N.H, Wray, J.S, Gautel, M, Schlichting, I.
登録日2006-02-06
公開日2006-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of human cardiac {beta}-myosin II S2-{Delta} provide insight into the functional role of the S2 subfragment
Proc.Natl.Acad.Sci.Usa, 103, 2006
5EG1
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BU of 5eg1 by Molmil
Antibacterial peptide ABC transporter McjD with a resolved lipid
分子名称: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, MAGNESIUM ION, Microcin-J25 export ATP-binding/permease protein McjD, ...
著者Choudhury, H.G, Beis, K.
登録日2015-10-26
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献Structural and Functional Basis for Lipid Synergy on the Activity of the Antibacterial Peptide ABC Transporter McjD.
J.Biol.Chem., 291, 2016
7MWI
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BU of 7mwi by Molmil
Crystal structure of human BAZ2A
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, UNKNOWN ATOM OR ION
著者Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
登録日2021-05-17
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of the TAM domain of BAZ2A in binding to DNA or RNA independent of methylation status.
J.Biol.Chem., 297, 2021
3QWP
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BU of 3qwp by Molmil
Crystal structure of SET and MYND domain containing 3; Zinc finger MYND domain-containing protein 1
分子名称: GLYCEROL, S-ADENOSYLMETHIONINE, SET and MYND domain-containing protein 3, ...
著者Dong, A, Dombrovski, L, Li, Y, Wernimont, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2011-02-28
公開日2011-04-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献The Crystal Structure of human Histone-lysine N-methyltransferase SMYD3
To be Published
2JIV
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BU of 2jiv by Molmil
Crystal structure of EGFR kinase domain T790M mutation in compex with HKI-272
分子名称: CHLORIDE ION, EPIDERMAL GROWTH FACTOR RECEPTOR, N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide
著者Yun, C.-H, Mengwasser, K.E, Toms, A.V, Li, Y, Woo, M.S, Greulich, H, Wong, K.-K, Meyerson, M, Eck, M.J.
登録日2007-07-02
公開日2008-01-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The T790M Mutation in Egfr Kinase Causes Drug Resistance by Increasing the Affinity for ATP.
Proc.Natl.Acad.Sci.USA, 105, 2008
8HE7
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BU of 8he7 by Molmil
ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
分子名称: 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1, processed C-terminus, ...
著者Wang, X.Y, Zhou, J, Xu, B.L.
登録日2022-11-07
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Quinazoline-2,4(1 H ,3 H )-dione Derivatives Containing a Piperizinone Moiety as Potent PARP-1/2 Inhibitors─Design, Synthesis, In Vivo Antitumor Activity, and X-ray Crystal Structure Analysis.
J.Med.Chem., 66, 2023
8HE8
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BU of 8he8 by Molmil
Human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
分子名称: 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, GLYCEROL, Poly [ADP-ribose] polymerase 2
著者Wang, X.Y, Xu, B.L, Zhou, J.
登録日2022-11-07
公開日2023-11-08
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Discovery of Quinazoline-2,4(1 H ,3 H )-dione Derivatives Containing a Piperizinone Moiety as Potent PARP-1/2 Inhibitors─Design, Synthesis, In Vivo Antitumor Activity, and X-ray Crystal Structure Analysis.
J.Med.Chem., 66, 2023
3LET
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BU of 3let by Molmil
Crystal Structure of Fic domain containing AMPylator, VopS
分子名称: Adenosine monophosphate-protein transferase vopS
著者Luong, P.H, Kinch, L.N, Brautigam, C.A, Grishin, N.V, Tomchick, D.R, Orth, K.
登録日2010-01-15
公開日2010-04-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Structural and Kinetic Analysis of VopS with Fic Domain Supports a Direct Transfer Mechanism for AMPylation
To be Published
8JI0
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BU of 8ji0 by Molmil
Cryo-EM structure of the TcsH-CROP in complex with TMPRSS2
分子名称: Maltose/maltodextrin-binding periplasmic protein,Hemorrhagic toxin, Transmembrane protease serine 2
著者Zhou, R, Tao, L, Zhan, X.
登録日2023-05-25
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Molecular basis of TMPRSS2 recognition by Paeniclostridium sordellii hemorrhagic toxin.
Nat Commun, 15, 2024
8JHZ
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BU of 8jhz by Molmil
Cryo-EM structure of the TcsH-TMPRSS2 complex
分子名称: Hemorrhagic toxin, Transmembrane protease serine 2, ZINC ION
著者Zhou, R, Liang, T, Zhan, X.
登録日2023-05-25
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular basis of TMPRSS2 recognition by Paeniclostridium sordellii hemorrhagic toxin.
Nat Commun, 15, 2024
4GWA
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BU of 4gwa by Molmil
Crystal Structure of a GH7 Family Cellobiohydrolase from Limnoria quadripunctata
分子名称: GH7 family protein, MAGNESIUM ION
著者McGeehan, J.E, Martin, R.N.A, Streeter, S.D, Cragg, S.M, Guille, M.J, Schnorr, K.M, Kern, M, Bruce, N.C, McQueen-Mason, S.J.
登録日2012-09-01
公開日2013-06-12
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural characterization of a unique marine animal family 7 cellobiohydrolase suggests a mechanism of cellulase salt tolerance
Proc.Natl.Acad.Sci.USA, 110, 2013
2ZFY
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BU of 2zfy by Molmil
Crystal structure of human Otubain 1
分子名称: Ubiquitin thioesterase OTUB1
著者Akutsu, M, Walker, J.R, Li, Y, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2008-01-16
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural basis and specificity of human otubain 1-mediated deubiquitination.
Biochem.J., 418, 2009
4HAP
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BU of 4hap by Molmil
Crystal Structure of a GH7 family cellobiohydrolase from Limnoria quadripunctata in complex with cellobiose
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GH7 family protein, ...
著者Martin, R.N.A, McGeehan, J.E, Streeter, S.D, Cragg, S.M, Guille, M.J, Schnorr, K.M, Kern, M, Bruce, N.C, McQueen-Mason, S.J.
登録日2012-09-27
公開日2013-06-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural characterization of a unique marine animal family 7 cellobiohydrolase suggests a mechanism of cellulase salt tolerance
Proc.Natl.Acad.Sci.USA, 110, 2013
4HAQ
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BU of 4haq by Molmil
Crystal Structure of a GH7 family cellobiohydrolase from Limnoria quadripunctata in complex with cellobiose and cellotriose
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GH7 family protein, ...
著者Martin, R.N.A, McGeehan, J.E, Streeter, S.D, Cragg, S.M, Guille, M.J, Schnorr, K.M, Kern, M, Bruce, N.C, McQueen-Mason, S.J.
登録日2012-09-27
公開日2013-06-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural characterization of a unique marine animal family 7 cellobiohydrolase suggests a mechanism of cellulase salt tolerance
Proc.Natl.Acad.Sci.USA, 110, 2013

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