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3TKS
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BU of 3tks by Molmil
Crystal structure of full-length human peroxiredoxin 4 in three different redox states
Descriptor: PEROXIDE ION, Peroxiredoxin-4
Authors:Wang, X, Wang, L, Wang, X, Sun, F, Wang, C.-C.
Deposit date:2011-08-28
Release date:2011-10-05
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into the peroxidase activity and inactivation of human peroxiredoxin 4
Biochem.J., 2011
3TKP
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BU of 3tkp by Molmil
Crystal structure of full-length human peroxiredoxin 4 in the reduced form
Descriptor: Peroxiredoxin-4
Authors:Wang, X, Wang, L, Wang, X, Sun, F, Wang, C.-C.
Deposit date:2011-08-28
Release date:2011-10-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural insights into the peroxidase activity and inactivation of human peroxiredoxin 4
Biochem.J., 2011
4LVB
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BU of 4lvb by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1,2-ETHANEDIOL, N-[4-(acetylamino)phenyl]cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.836 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4LVF
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BU of 4lvf by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4LV9
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BU of 4lv9 by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1,2-ETHANEDIOL, 7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ...
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.807 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4LVA
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BU of 4lva by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1,2-ETHANEDIOL, N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ...
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4LVG
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BU of 4lvg by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: (1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4M6P
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BU of 4m6p by Molmil
Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: N-[4-(phenylsulfonyl)benzyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-08-10
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4M6Q
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BU of 4m6q by Molmil
Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1-(5-O-phosphono-beta-D-ribofuranosyl)-N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ...
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-08-10
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
5WXB
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BU of 5wxb by Molmil
crystal structure of ZIKV MTase in complex with SAH
Descriptor: MRNA cap 0-1 NS5-type MT, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Yang, H, Wang, L, Zhou, H.
Deposit date:2017-01-07
Release date:2017-05-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:The conformational changes of Zika virus methyltransferase upon converting SAM to SAH
Oncotarget, 8, 2017
4LVD
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BU of 4lvd by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1,2-ETHANEDIOL, N-(4-nitrophenyl)cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
6OMM
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BU of 6omm by Molmil
Cryo-EM structure of formyl peptide receptor 2/lipoxin A4 receptor in complex with Gi
Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhuang, Y, Liu, H, de Waal, P.W, Zhou, X.E, Wang, L, Meng, X, Zhao, G, Kang, Y, Melcher, K, Xu, H.E, Zhang, C.
Deposit date:2019-04-19
Release date:2020-02-26
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structure of formylpeptide receptor 2-Gicomplex reveals insights into ligand recognition and signaling.
Nat Commun, 11, 2020
1X70
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BU of 1x70 by Molmil
HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH A BETA AMINO ACID INHIBITOR
Descriptor: (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kim, D, Wang, L, Beconi, M, Eiermann, G.J, Fisher, M.H, He, H, Hickey, G.J, Leiting, B, Lyons, K.
Deposit date:2004-08-12
Release date:2005-01-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:(2R)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine: A Potent, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes
J.Med.Chem., 48, 2005
6P6G
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BU of 6p6g by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
Authors:Elkins, P.A, Wang, L.
Deposit date:2019-06-03
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6P6K
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BU of 6p6k by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
Authors:Elkins, P.A, Wang, L.
Deposit date:2019-06-04
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
5G0H
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BU of 5g0h by Molmil
Crystal structure of Danio rerio HDAC6 CD2 in complex with (S)- trichostatin A
Descriptor: 1,2-ETHANEDIOL, HDAC6, POTASSIUM ION, ...
Authors:Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P.
Deposit date:2016-03-18
Release date:2016-07-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
5G0F
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BU of 5g0f by Molmil
Crystal structure of Danio rerio HDAC6 ZnF-UBP domain
Descriptor: GLYCINE, HDAC6, NICKEL (II) ION, ...
Authors:Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P.
Deposit date:2016-03-18
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
5G0J
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BU of 5g0j by Molmil
Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker intact) in complex with Nexturastat A
Descriptor: CHLORIDE ION, HDAC6, NEXTURASTAT A, ...
Authors:Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P.
Deposit date:2016-03-18
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
5G0I
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BU of 5g0i by Molmil
Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker cleaved) in complex with Nexturastat A
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, HDAC6, ...
Authors:Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P.
Deposit date:2016-03-18
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
8CTH
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BU of 8cth by Molmil
Cryo-EM structure of human METTL1-WDR4-tRNA(Phe) complex
Descriptor: Phe-tRNA, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(7)-)-methyltransferase, ...
Authors:Li, J, Wang, L, Fontana, P, Hunkeler, M, Roy-Burman, S.S, Wu, H, Fishcer, E.S, Gregory, R.I.
Deposit date:2022-05-14
Release date:2022-12-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of regulated m 7 G tRNA modification by METTL1-WDR4.
Nature, 613, 2023
8CTI
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BU of 8cti by Molmil
Cryo-EM structure of human METTL1-WDR4-tRNA(Val) complex
Descriptor: tRNA (guanine-N(7)-)-methyltransferase, tRNA (guanine-N(7)-)-methyltransferase non-catalytic subunit WDR4, tRNA-Val-TAC-2-1
Authors:Li, J, Wang, L, Fontana, P, Hunkeler, M, Roy-Burman, S.S, Wu, H, Fischer, E.S, Gregory, R.I.
Deposit date:2022-05-14
Release date:2022-12-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of regulated m 7 G tRNA modification by METTL1-WDR4.
Nature, 613, 2023
6PAF
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BU of 6paf by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: GLYCEROL, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
Authors:Elkins, P.A, Wang, L.
Deposit date:2019-06-11
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.241 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
5G0G
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BU of 5g0g by Molmil
Crystal structure of Danio rerio HDAC6 CD1 in complex with trichostatin A
Descriptor: CHLORIDE ION, HDAC6, SODIUM ION, ...
Authors:Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P.
Deposit date:2016-03-18
Release date:2016-07-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
1QBQ
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BU of 1qbq by Molmil
STRUCTURE OF RAT FARNESYL PROTEIN TRANSFERASE COMPLEXED WITH A CVIM PEPTIDE AND ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID.
Descriptor: ACETATE ION, ACETYL-CYS-VAL-ILE-SELENOMET-COOH PEPTIDE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, ...
Authors:Strickland, C.L, Windsor, W.T, Syto, R, Wang, L, Bond, R, Wu, Z, Schwartz, J, Le, H.V, Beese, L.S, Weber, P.C.
Deposit date:1999-04-27
Release date:1999-06-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of farnesyl protein transferase complexed with a CaaX peptide and farnesyl diphosphate analogue
Biochemistry, 37, 1998
2QWM
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BU of 2qwm by Molmil
Crystal structure of bovine hsc70 (1-394aa)in the ADP*Vi state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Heat shock cognate 71 kDa protein, ...
Authors:Jiang, J, Maes, E.G, Wang, L, Taylor, A.B, Hinck, A.P, Lafer, E.M, Sousa, R.
Deposit date:2007-08-10
Release date:2007-12-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural basis of J cochaperone binding and regulation of Hsp70.
Mol.Cell, 28, 2007

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