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PDB: 245 件
2PTM
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BU of 2ptm by Molmil
Structure and rearrangements in the carboxy-terminal region of SpIH channels
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, COBALT HEXAMMINE(III), Hyperpolarization-activated (Ih) channel
著者Flynn, G.E, Black, K.D, Islas, L.D, Sankaran, B, Zagotta, W.N.
登録日2007-05-08
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure and rearrangements in the carboxy-terminal region of SpIH channels.
Structure, 15, 2007
4WBA
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BU of 4wba by Molmil
Q/E mutant SA11 NSP4_CCD
分子名称: GLYCEROL, Non-structural glycoprotein NSP4, PHOSPHATE ION
著者Viskovska, M, Sastri, N.P, Hyser, J.M, Tanner, M.R, Horton, L.B, Sankaran, B, Prasad, B.V.V, Estes, M.K.
登録日2014-09-02
公開日2014-09-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Structural Plasticity of the Coiled-Coil Domain of Rotavirus NSP4.
J.Virol., 88, 2014
4WB4
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BU of 4wb4 by Molmil
wt SA11 NSP4_CCD
分子名称: CALCIUM ION, Non-structural glycoprotein NSP4
著者Viskovska, M, Sastri, N.P, Hyser, J.M, Tanner, M.R, Horton, L.B, Sankaran, B, Prasad, B.V.V, Estes, M.K.
登録日2014-09-02
公開日2014-09-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural Plasticity of the Coiled-Coil Domain of Rotavirus NSP4.
J.Virol., 88, 2014
5J48
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BU of 5j48 by Molmil
PKG I's Carboyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with 8-pCPT-cGMP
分子名称: 1,2-ETHANEDIOL, 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one, CALCIUM ION, ...
著者Campbell, J.C, Sankaran, B, Kim, C.W.
登録日2016-03-31
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural Basis of Analog Specificity in PKG I and II.
ACS Chem. Biol., 12, 2017
7V04
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The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide
分子名称: 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-05-09
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8DAL
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BU of 8dal by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinonitrile
分子名称: 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carbonitrile, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-06-13
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8DDB
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BU of 8ddb by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinic acid
分子名称: 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ...
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-06-17
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8DDE
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BU of 8dde by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-2-(1H-tetrazol-5-yl) yridine-3-ol
分子名称: (2M)-6-bromo-3-hydroxy-2-(1H-tetrazol-5-yl)pyridin-4(1H)-one, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-06-17
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8DHN
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BU of 8dhn by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one
分子名称: (2P)-6-bromo-3-hydroxy-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridin-4(1H)-one, MANGANESE (II) ION, PA endonuclease
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-06-27
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8CTF
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BU of 8ctf by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
分子名称: 3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, ACETATE ION, MANGANESE (II) ION, ...
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-05-14
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
7UON
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BU of 7uon by Molmil
CTX-M-14 Y105W mutant
分子名称: Beta-lactamase, PHOSPHATE ION
著者Judge, A, Hu, L, Sankaran, B, Van Riper, J, Prasad, B.V.V, Palzkill, T.
登録日2022-04-13
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Mapping the determinants of catalysis and substrate specificity of the antibiotic resistance enzyme CTX-M beta-lactamase.
Commun Biol, 6, 2023
8G0W
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BU of 8g0w by Molmil
Crystal structure of human norovirus GII.4 P domain in complex with Nanobody M4
分子名称: Nanobody M4, VP1
著者Hu, L, Salmen, W, Sankaran, B, Prasad, B.V.V.
登録日2023-02-01
公開日2023-10-04
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Crystal structure of human norovirus GII.4 P domain in complex with Nanobody M4
To Be Published
6XA0
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BU of 6xa0 by Molmil
Crystal structure of C-As lyase with mutation K105R with Ni(II)
分子名称: Glyoxalase/bleomycin resistance protein/dioxygenase, NICKEL (II) ION
著者Venkadesh, S, Yoshinaga, M, Kandavelu, P, Sankaran, B, Rosen, B.P.
登録日2020-06-03
公開日2021-06-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The ArsI C-As lyase: Elucidating the catalytic mechanism of degradation of organoarsenicals.
J.Inorg.Biochem., 232, 2022
6XCK
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BU of 6xck by Molmil
Crystal structure of C-As lyase with mutation K105E
分子名称: Glyoxalase/bleomycin resistance protein/dioxygenase
著者Venkadesh, S, Yoshinaga, M, Kandavelu, P, Sankaran, B, Rosen, B.P.
登録日2020-06-08
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献The ArsI C-As lyase: Elucidating the catalytic mechanism of degradation of organoarsenicals.
J.Inorg.Biochem., 232, 2022
8DJV
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BU of 8djv by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide
分子名称: 6-bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide, MANGANESE (II) ION, Polymerase acidic protein
著者Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M.
登録日2022-07-01
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors.
Acs Med.Chem.Lett., 14, 2023
6MSQ
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BU of 6msq by Molmil
Crystal structure of pRO-2.3
分子名称: pRO-2.3
著者Boyken, S.E, Sankaran, B, Bick, M.J, Baker, D.
登録日2018-10-17
公開日2019-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献De novo design of tunable, pH-driven conformational changes.
Science, 364, 2019
3HVV
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BU of 3hvv by Molmil
Escherichia coli Thiol peroxidase (Tpx) peroxidatic cysteine to serine mutant (C61S)
分子名称: Thiol peroxidase
著者Hall, A, Sankaran, B, Karplus, P.A.
登録日2009-06-16
公開日2009-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural changes common to catalysis in the Tpx peroxiredoxin subfamily.
J.Mol.Biol., 393, 2009
4QX5
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BU of 4qx5 by Molmil
Neutron diffraction reveals hydrogen bonds critical for cGMP-selective activation: Insights for PKG agonist design
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, IODIDE ION, cGMP-dependent protein kinase 1
著者Huang, G.Y, Gerlits, O.O, Blakeley, M.P, Sankaran, B, Kovalevsky, A.Y, Kim, C.
登録日2014-07-18
公開日2014-11-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.318 Å)
主引用文献Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design.
Biochemistry, 53, 2014
5HAI
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BU of 5hai by Molmil
P99 beta-lactamase mutant - S64G
分子名称: Beta-lactamase, PHOSPHATE ION
著者Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2015-12-30
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
6MSR
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BU of 6msr by Molmil
Crystal structure of pRO-2.5
分子名称: pRO-2.5
著者Bick, M.J, Sankaran, B, Boyken, S.E, Baker, D.
登録日2018-10-17
公開日2019-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献De novo design of tunable, pH-driven conformational changes.
Science, 364, 2019
6N9D
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BU of 6n9d by Molmil
Complex of tissue inhibitor of metalloproteinases-1 (TIMP-1) mutant (L34G/L133P/L151C/G154A) with matrix metalloproteinase-3 catalytic domain (MMP-3cd)
分子名称: CALCIUM ION, Metalloproteinase inhibitor 1, Stromelysin-1, ...
著者Raeeszadeh-Sarmazdeh, M, Radisky, E.S, Sankaran, B.
登録日2018-12-03
公開日2019-05-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Directed evolution of the metalloproteinase inhibitor TIMP-1 reveals that its N- and C-terminal domains cooperate in matrix metalloproteinase recognition.
J.Biol.Chem., 294, 2019
6NTP
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BU of 6ntp by Molmil
PTP1B Domain of PTP1B-LOV2 Chimera
分子名称: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1,NPH1-1
著者Hongdusit, A, Sankaran, B, Zwart, P.H, Fox, J.M.
登録日2019-01-30
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Minimally disruptive optical control of protein tyrosine phosphatase 1B.
Nat Commun, 11, 2020
8ERW
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Precisely patterned nanofibers made from extendable protein multiplexes
分子名称: C2HR4_8r
著者Bick, M.J, Parmeggiani, F, Bethel, N.P, Sankaran, B, Baker, D.
登録日2022-10-12
公開日2023-08-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Precisely patterned nanofibres made from extendable protein multiplexes.
Nat.Chem., 15, 2023
5HAR
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BU of 5har by Molmil
OXA-163 beta-lactamase - S70G mutant
分子名称: ACETATE ION, Beta-lactamase, CHLORIDE ION
著者Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2015-12-30
公開日2016-09-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
5HCW
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BU of 5hcw by Molmil
Crystal structure of C-As lyase with mutations Y100H and V102F (monoclinic form)
分子名称: Glyoxalase/bleomycin resistance protein/dioxygenase
著者Venkadesh, S, Yoshinaga, M, Kandavelu, P, Sankaran, B, Rosen, B.P.
登録日2016-01-04
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.785 Å)
主引用文献Crystal structure of C-As lyase with mutations Y100H and V102F (monoclinic form)
To Be Published

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