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8SUT
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BU of 8sut by Molmil
Crystal structure of YisK from Bacillus subtilis in complex with reaction product 4-Hydroxy-2-oxoglutaric acid
分子名称: (2~{R})-2-oxidanyl-4-oxidanylidene-pentanedioic acid, Fumarylacetoacetate hydrolase family protein, MANGANESE (II) ION
著者Krieger, I.V, Chemelewski, V, Guo, T, Sperber, A, Herman, J, Sacchettini, J.C.
登録日2023-05-13
公開日2023-11-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization.
J.Bacteriol., 206, 2024
8SUU
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BU of 8suu by Molmil
Crystal structure of YisK from Bacillus subtilis in apo form
分子名称: Fumarylacetoacetate hydrolase family protein, MANGANESE (II) ION
著者Krieger, I.V, Chemelewski, V, Guo, T, Sperber, A, Herman, J, Sacchettini, J.C.
登録日2023-05-13
公開日2023-11-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization.
J.Bacteriol., 206, 2024
8SKY
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BU of 8sky by Molmil
Crystal structure of YisK from Bacillus subtilis in complex with oxalate
分子名称: Fumarylacetoacetate hydrolase family protein, MANGANESE (II) ION, OXALATE ION
著者Krieger, I.V, Chemelewski, V, Guo, T, Sperber, A, Herman, J, Sacchettini, J.C.
登録日2023-04-20
公開日2023-11-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Bacillus subtilis YisK possesses oxaloacetate decarboxylase activity and exhibits Mbl-dependent localization.
J.Bacteriol., 206, 2024
7XKC
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BU of 7xkc by Molmil
Crystal structure of Daucus Carrot hypoglycemic peptide (DCHP)
分子名称: DCHP, SULFATE ION
著者Guo, T, Ren, J.Q, Wang, L, Shi, Y.W, Feng, W.
登録日2022-04-19
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Characterization of a thermostable, protease-tolerant inhibitor of alpha-glycosidase from carrot: A potential oral additive for treatment of diabetes.
Int.J.Biol.Macromol., 209, 2022
8D4Z
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BU of 8d4z by Molmil
Crystal structure of USP7 in complex with allosteric inhibitor FX1-3763
分子名称: 1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione, GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7
著者Bell, J.A.
登録日2022-06-03
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Novel USP7 inhibitors demonstrate potent anti-cancer activity in models of AML, synergy with BCL2 inhibition, and a differentiated mechanism of action
To Be Published
5JXC
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BU of 5jxc by Molmil
SynGAP Coiled-coil trimer
分子名称: Ras/Rap GTPase-activating protein SynGAP
著者Shang, Y, Zhang, M.
登録日2016-05-13
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Phase Transition in Postsynaptic Densities Underlies Formation of Synaptic Complexes and Synaptic Plasticity.
Cell, 166, 2016
5IZU
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BU of 5izu by Molmil
A new binding site outside the canonical PDZ domain determines the specific interaction between Shank and SAPAP and their function
分子名称: SH3 and multiple ankyrin repeat domains protein 3, peptide from Disks large-associated protein 3
著者Shang, Y, Zeng, M, Zhang, M.
登録日2016-03-26
公開日2016-05-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献A binding site outside the canonical PDZ domain determines the specific interaction between Shank and SAPAP and their function
Proc.Natl.Acad.Sci.USA, 113, 2016
5JXB
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BU of 5jxb by Molmil
PSD-95 extended PDZ3 in complex with SynGAP PBM
分子名称: Disks large homolog 4,SynGAP
著者Shang, Y, Zhang, M.
登録日2016-05-13
公開日2016-09-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Phase Transition in Postsynaptic Densities Underlies Formation of Synaptic Complexes and Synaptic Plasticity.
Cell, 166, 2016
3CID
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BU of 3cid by Molmil
Structure of BACE Bound to SCH726222
分子名称: Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C, Cumming, J.
登録日2008-03-11
公開日2008-06-10
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3CIC
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BU of 3cic by Molmil
Structure of BACE Bound to SCH709583
分子名称: Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2S)-2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C, Cumming, J.
登録日2008-03-11
公開日2008-06-10
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3LPI
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BU of 3lpi by Molmil
Structure of BACE Bound to SCH745132
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C, Cumming, J.
登録日2010-02-05
公開日2010-04-14
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
3LPK
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BU of 3lpk by Molmil
Structure of BACE Bound to SCH747123
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide
著者Strickland, C, Cumming, J.
登録日2010-02-05
公開日2010-04-14
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
3LPJ
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BU of 3lpj by Molmil
Structure of BACE Bound to SCH743641
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C, Cumming, J.
登録日2010-02-05
公開日2010-04-14
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
3LNK
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BU of 3lnk by Molmil
Structure of BACE bound to SCH743813
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylcarbonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Orth, P, Cumming, J.
登録日2010-02-02
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
4LN0
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BU of 4ln0 by Molmil
Crystal structure of the VGLL4-TEAD4 complex
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Transcription cofactor vestigial-like protein 4, ...
著者Wang, H, Shi, Z, Zhou, Z.
登録日2013-07-11
公開日2014-02-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.896 Å)
主引用文献A Peptide Mimicking VGLL4 Function Acts as a YAP Antagonist Therapy against Gastric Cancer.
Cancer Cell, 25, 2014
4FRS
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BU of 4frs by Molmil
Structure of BACE in complex with (S)-4-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium
分子名称: (2Z,6S)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1H)-one, Beta-secretase 1
著者Orth, P.
登録日2012-06-26
公開日2012-08-08
最終更新日2013-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor That Affords Robust CNS A(beta) Reduction
ACS Med Chem Lett, 3, 2012
3CIB
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BU of 3cib by Molmil
Structure of BACE Bound to SCH727596
分子名称: Beta-secretase 1, D(-)-TARTARIC ACID, N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
著者Strickland, C, Cumming, J.
登録日2008-03-11
公開日2008-06-10
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
6IW2
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BU of 6iw2 by Molmil
Crystal structure of 5A ScFv in complex with YFV-17D sE in prefusion state
分子名称: Envelope protein E, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A
著者Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
登録日2018-12-04
公開日2019-02-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6IW5
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BU of 6iw5 by Molmil
Crystal structure of YFV-China sE in prefusion state
分子名称: Envelope protein
著者Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
登録日2018-12-04
公開日2019-02-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6IW1
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BU of 6iw1 by Molmil
Crystal structure of YFV-17D sE in postfusion state
分子名称: Envelope protein E
著者Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
登録日2018-12-04
公開日2019-02-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6IW4
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BU of 6iw4 by Molmil
Crystal structure of YFV-17D sE in prefusion state
分子名称: Envelope protein E
著者Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
登録日2018-12-04
公開日2019-02-13
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6J9O
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BU of 6j9o by Molmil
Crystal structure of a free scFv molecule from a group 2 influenza A viruses HA binding antibody AF4H1K1
分子名称: Heavy chain of AF4H1K1 scFv, Light chain of AF4H1K1 scFv
著者Xiao, H.X, Qi, J.X, Gao, F.G.
登録日2019-01-23
公開日2020-01-29
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.397 Å)
主引用文献Light chain modulates heavy chain conformation to change protection profile of monoclonal antibodies against influenza A viruses.
Cell Discov, 5, 2019
6J67
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BU of 6j67 by Molmil
Crystal structure of the compound 34 in a complex with TRF2
分子名称: 3FB-PHE-B8R-LEU-5XU-PRO, Telomeric repeat-binding factor 2
著者Chen, Y, Yang, Y, Lei, M.
登録日2019-01-14
公開日2019-02-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Cyclic Peptidic Mimetics of Apollo Peptides Targeting Telomeric Repeat Binding Factor 2 (TRF2) and Apollo Interaction.
ACS Med Chem Lett, 9, 2018
6IVZ
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BU of 6ivz by Molmil
Crystal structure of 5A ScFv complexed with YFV-China sE in postfusion state
分子名称: Envelope protein, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A
著者Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
登録日2018-12-04
公開日2019-02-13
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019
6IW0
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BU of 6iw0 by Molmil
Crystal structure of 5A ScFv in complex with YFV-17D sE in postfusion state
分子名称: Envelope protein E, Heavy chain of monoclonal antibody 5A, Light chain of monoclonal antibody 5A
著者Lu, X.S, Xiao, H.X, Li, S.H, Pang, X.F.
登録日2018-12-04
公開日2019-02-13
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Double Lock of a Human Neutralizing and Protective Monoclonal Antibody Targeting the Yellow Fever Virus Envelope.
Cell Rep, 26, 2019

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