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6NVB
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BU of 6nvb by Molmil
Crystal structure of the inhibitor-free form of the serine protease kallikrein-4
分子名称: GLYCEROL, Kallikrein-4, SULFATE ION
著者Riley, B.T, Buckle, A.M, McGowan, S.
登録日2019-02-04
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.636 Å)
主引用文献Crystal structure of the inhibitor-free form of the serine protease kallikrein-4.
Acta Crystallogr.,Sect.F, 75, 2019
6BVH
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BU of 6bvh by Molmil
Trypsin complexed with a modified sunflower trypsin inhibitor, SFTI-TCTR(N12,N14)
分子名称: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
著者Riley, B.T, Chen, X.
登録日2017-12-13
公開日2018-12-19
最終更新日2019-01-30
実験手法X-RAY DIFFRACTION (1.927 Å)
主引用文献Potent, multi-target serine protease inhibition achieved by a simplified beta-sheet motif.
PLoS ONE, 14, 2019
7MHF
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BU of 7mhf by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 100 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHG
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BU of 7mhg by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 240 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5302 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHL
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BU of 7mhl by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 100 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHM
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BU of 7mhm by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 240 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5302 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
8SLU
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BU of 8slu by Molmil
Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and high pressure (205 MPa)
分子名称: GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5
著者Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A.
登録日2023-04-24
公開日2023-06-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
8SLT
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Crystal structure of human STEP (PTPN5) at physiological temperature (310 K) and ambient pressure (0.1 MPa)
分子名称: SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5
著者Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A.
登録日2023-04-24
公開日2023-06-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
8SLS
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BU of 8sls by Molmil
Crystal structure of human STEP (PTPN5) at cryogenic temperature (100 K) and ambient pressure (0.1 MPa)
分子名称: GLYCEROL, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 5
著者Ebrahim, A, Guerrero, L, Riley, B.T, Kim, M, Huang, Q, Finke, A.D, Keedy, D.A.
登録日2023-04-24
公開日2023-06-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Pushed to extremes: distinct effects of high temperature vs. pressure on the structure of an atypical phosphatase.
Biorxiv, 2023
7MHK
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BU of 7mhk by Molmil
Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 310 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9601 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHN
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BU of 7mhn by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 277 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1908 Å)
主引用文献The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
7MHJ
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BU of 7mhj by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K and High Humidity
分子名称: 3C-like proteinase, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.0005 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHO
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BU of 7mho by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 298 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
7MHI
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BU of 7mhi by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHQ
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BU of 7mhq by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 310 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9601 Å)
主引用文献The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
7MHH
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BU of 7mhh by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 277 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1908 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHP
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BU of 7mhp by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 298 K at high humidity
分子名称: 3C-like proteinase, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.0005 Å)
主引用文献The temperature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro )
Iucrj, 9, 2022
4K1E
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BU of 4k1e by Molmil
Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with a modified SFTI inhibitor FCQR
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Kallikrein-4, LITHIUM ION, ...
著者Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M.
登録日2013-04-04
公開日2014-04-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics
Sci Rep, 6, 2016
4KGA
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BU of 4kga by Molmil
Crystal structure of kallikrein-related peptidase 4
分子名称: 1,2-ETHANEDIOL, Kallikrein-4, NICKEL (II) ION
著者Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M.
登録日2013-04-29
公開日2014-04-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics
Sci Rep, 6, 2016
4K8Y
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BU of 4k8y by Molmil
Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with Sunflower Trypsin Inhibitor (SFTI-1)
分子名称: Kallikrein-4, Trypsin inhibitor 1
著者Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M.
登録日2013-04-19
公開日2014-04-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics
Sci Rep, 6, 2016
6O21
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BU of 6o21 by Molmil
Crystal Structure of Human KLK4 in Complex With Cleaved SFTI-FCQR(Asn14)[1,14] Inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Kallikrein 4 (Prostase, enamel matrix, ...
著者Ilyichova, O.V, Buckle, A.M.
登録日2019-02-22
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献KLK4 Inhibition by Cyclic and Acyclic Peptides: Structural and Dynamical Insights into Standard-Mechanism Protease Inhibitors.
Biochemistry, 58, 2019
4KEL
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BU of 4kel by Molmil
Atomic resolution crystal structure of Kallikrein-Related Peptidase 4 complexed with a modified SFTI inhibitor FCQR(N)
分子名称: Kallikrein-4, Trypsin inhibitor 1
著者Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M.
登録日2013-04-25
公開日2014-04-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.148 Å)
主引用文献KLK4 Inhibition by Cyclic and Acyclic Peptides: Structural and Dynamical Insights into Standard-Mechanism Protease Inhibitors.
Biochemistry, 58, 2019
7T3V
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BU of 7t3v by Molmil
Metal dependent activation of Plasmodium falciparum M17 aminopeptidase, spacegroup P22121 after crystals soaked with Zn2+
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CARBONATE ION, M17 leucyl aminopeptidase, ...
著者Webb, C.T, McGowan, S.
登録日2021-12-08
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A metal ion-dependent conformational switch modulates activity of the Plasmodium M17 aminopeptidase.
J.Biol.Chem., 298, 2022
7SRV
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BU of 7srv by Molmil
Metal dependent activation of Plasmodium falciparum M17 aminopeptidase (inactive form), spacegroup P22121
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Webb, C.T, McGowan, S.
登録日2021-11-08
公開日2022-06-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献A metal ion-dependent conformational switch modulates activity of the Plasmodium M17 aminopeptidase.
J.Biol.Chem., 298, 2022
6EE5
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Reactive centre loop dynamics and serpin specificity
分子名称: Conserpin-AATRCL
著者Marijanovic, E.M, Porebski, B.T, McGowan, S, Buckle, A.M.
登録日2018-08-13
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Reactive centre loop dynamics and serpin specificity.
Sci Rep, 9, 2019

 

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