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6J8M
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BU of 6j8m by Molmil
Low-dose structure of bovine heart cytochrome c oxidase in the fully oxidized state determined using 30 keV X-ray
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Ueno, G, Shimada, A, Yamashita, E, Hasegawa, K, Kumasaka, T, Shinzawa-Itoh, K, Yoshikawa, S, Tsukihara, T, Yamamoto, M.
Deposit date:2019-01-20
Release date:2019-06-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Low-dose X-ray structure analysis of cytochrome c oxidase utilizing high-energy X-rays.
J.Synchrotron Radiat., 26, 2019
3WG7
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BU of 3wg7 by Molmil
A 1.9 angstrom radiation damage free X-ray structure of large (420KDa) protein by femtosecond crystallography
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Hirata, K, Shinzawa-Itoh, K, Yano, N, Takemura, S, Kato, K, Hatanaka, M, Muramoto, K, Kawahara, T, Tsukihara, T, Yamashita, E, Tono, K, Ueno, G, Hikima, T, Murakami, H, Inubushi, Y, Yabashi, M, Ishikawa, T, Yamamoto, M, Ogura, T, Sugimoto, H, Shen, J.R, Yoshikawa, S, Ago, H.
Deposit date:2013-07-29
Release date:2014-04-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Determination of damage-free crystal structure of an X-ray-sensitive protein using an XFEL.
Nat.Methods, 11, 2014
3W41
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BU of 3w41 by Molmil
Crystal structure of RsbX in complex with magnesium in space group P21
Descriptor: MAGNESIUM ION, Phosphoserine phosphatase RsbX
Authors:Teh, A.H, Makino, M, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T.
Deposit date:2013-01-04
Release date:2014-01-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis
Acta Crystallogr.,Sect.D, 71, 2015
3W42
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BU of 3w42 by Molmil
Crystal structure of RsbX in complex with manganese in space group P1
Descriptor: MANGANESE (II) ION, Phosphoserine phosphatase RsbX
Authors:Teh, A.H, Makino, M, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T.
Deposit date:2013-01-04
Release date:2014-01-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis
Acta Crystallogr.,Sect.D, 71, 2015
3W44
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BU of 3w44 by Molmil
Crystal structure of RsbX, selenomethionine derivative
Descriptor: DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, Phosphoserine phosphatase RsbX
Authors:Teh, A.H, Makino, M, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T.
Deposit date:2013-01-04
Release date:2014-01-22
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis
Acta Crystallogr.,Sect.D, 71, 2015
3WDZ
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BU of 3wdz by Molmil
Crystal Structure of Keap1 in Complex with phosphorylated p62
Descriptor: Kelch-like ECH-associated protein 1, Peptide from Sequestosome-1
Authors:Fukutomi, T, Takagi, K, Mizushima, T, Tanaka, K, Komatsu, M, Yamamoto, M.
Deposit date:2013-06-26
Release date:2013-09-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Phosphorylation of p62 activates the Keap1-Nrf2 pathway during selective autophagy.
Mol.Cell, 51, 2013
3W40
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BU of 3w40 by Molmil
Crystal structure of RsbX in complex with magnesium in space group P1
Descriptor: MAGNESIUM ION, Phosphoserine phosphatase RsbX
Authors:Teh, A.H, Makino, M, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T.
Deposit date:2013-01-04
Release date:2014-01-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis
Acta Crystallogr.,Sect.D, 71, 2015
3W43
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BU of 3w43 by Molmil
Crystal structure of RsbX in complex with manganese in space group P21
Descriptor: MANGANESE (II) ION, Phosphoserine phosphatase RsbX
Authors:Teh, A.H, Makino, M, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T.
Deposit date:2013-01-04
Release date:2014-01-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis
Acta Crystallogr.,Sect.D, 71, 2015
3W45
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BU of 3w45 by Molmil
Crystal structure of RsbX in complex with cobalt in space group P1
Descriptor: COBALT (II) ION, Phosphoserine phosphatase RsbX
Authors:Makino, M, Teh, A.H, Baba, S, Shimizu, N, Yamamoto, M, Kumasaka, T.
Deposit date:2013-01-04
Release date:2014-01-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the RsbX phosphatase involved in the general stress response of Bacillus subtilis
Acta Crystallogr.,Sect.D, 71, 2015
3WN7
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BU of 3wn7 by Molmil
Crystal Structure of Keap1 in Complex with the N-terminal region of the Nrf2 transcription factor
Descriptor: ACETATE ION, Kelch-like ECH-associated protein 1, Peptide from Nuclear factor erythroid 2-related factor 2
Authors:Fukutomi, T, Takagi, K, Mizushima, T, Ohuchi, N, Yamamoto, M.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Kinetic, thermodynamic, and structural characterizations of the association between Nrf2-DLGex degron and Keap1
Mol.Cell.Biol., 34, 2014
6E99
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BU of 6e99 by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and an amino-pyridinylbenzamide based inhibitor.
Descriptor: 2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2018-07-31
Release date:2018-11-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6E9W
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BU of 6e9w by Molmil
Crystal structure of Rock1 with a pyridinylbenzamide based inhibitor
Descriptor: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 1, SULFATE ION
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2018-08-01
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6E9L
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BU of 6e9l by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and a pyridinylbenzamide based inhibitor
Descriptor: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2018-08-01
Release date:2018-11-14
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6ED6
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BU of 6ed6 by Molmil
Crystal structure of Rock2 with a pyridinylbenzamide based inhibitor
Descriptor: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 2
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2018-08-08
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
3GGX
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BU of 3ggx by Molmil
HIV Protease, pseudo-symmetric inhibitors
Descriptor: V-1 protease, methyl [(1S)-1-{[(1R,3S,4S)-4-{[(2S)-3,3-dimethyl-2-{3-[(6-methylpyridin-2-yl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-1-yl}butanoyl]amino}-3-hydroxy-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate
Authors:Stoll, V.S.
Deposit date:2009-03-02
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects.
J.Med.Chem., 52, 2009
3S85
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BU of 3s85 by Molmil
Discovery of New HIV Protease Inhibitors with Potential for Convenient Dosing and Reduced Side Effects: A-790742 and A-792611.
Descriptor: Protease/reverse transcriptase, methyl N-[(2S)-1-[[(2S,3S,5S)-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
Authors:DeGoey, D.A, Flosi, W.J, Grampovnik, D.J, Flentge, C.A.
Deposit date:2011-05-27
Release date:2012-04-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects.
J.Med.Chem., 52, 2009
3GGV
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BU of 3ggv by Molmil
HIV Protease, pseudo-symmetric inhibitors
Descriptor: V-1 protease, methyl [(1S)-1-{[(1R,3S,4S)-3-hydroxy-4-{[(2S)-2-(3-{[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-3,3-dimethylbutanoyl]amino}-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate
Authors:Stoll, V.S.
Deposit date:2009-03-02
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects.
J.Med.Chem., 52, 2009
3GGA
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BU of 3gga by Molmil
HIV Protease inhibitors with pseudo-symmetric cores
Descriptor: V-1 protease, methyl [(1S,4S,5S,7S,10S)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate
Authors:Stoll, V.S.
Deposit date:2009-02-27
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects.
J.Med.Chem., 52, 2009
5VHB
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BU of 5vhb by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitor
Descriptor: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A.
Deposit date:2017-04-12
Release date:2018-01-31
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
5VIB
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BU of 5vib by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors
Descriptor: 3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A.
Deposit date:2017-04-14
Release date:2018-01-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
5VI9
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BU of 5vi9 by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors
Descriptor: N-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A.
Deposit date:2017-04-14
Release date:2018-01-31
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
2OH0
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BU of 2oh0 by Molmil
Crystal structure of Protein Kinase A in complex with Pyridine-Pyrazolopyridine Based Inhibitors
Descriptor: (2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-YL]PROPAN-2-AMINE, Inhibitory peptide, cAMP-dependent protein kinase, ...
Authors:Stoll, V.S.
Deposit date:2007-01-09
Release date:2007-03-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and synthesis of pyridine-pyrazolopyridine-based inhibitors of protein kinase B/Akt.
Bioorg.Med.Chem., 15, 2007
2OJF
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BU of 2ojf by Molmil
Crystal structure of Protein Kinase A in complex with Pyridine-Pyrazolopyridine based inhibitors
Descriptor: (2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, Inhibitory peptide, cAMP-dependent protein kinase, ...
Authors:Stoll, V.S.
Deposit date:2007-01-12
Release date:2007-03-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and synthesis of pyridine-pyrazolopyridine-based inhibitors of protein kinase B/Akt.
Bioorg.Med.Chem., 15, 2007
1GTW
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BU of 1gtw by Molmil
crystal structure of C/EBPbeta bZip homodimer bound to a DNA fragment from the tom-1A promoter
Descriptor: 5'-D(*AP*AP*TP*GP*TP*GP*GP*CP*GP*CP* AP*AP*TP*CP*CP*T)-3', 5'-D(*TP*AP*GP*GP*AP*TP*TP*GP*CP*GP* CP*CP*AP*CP*AP*T)-3', CAAT/ENHANCER BINDING PROTEIN BETA
Authors:Tahirov, T.H, Ogata, K.
Deposit date:2002-01-22
Release date:2004-02-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis for Flexible Base Recognition by C/Ebpbeta
To be Published
1GU4
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BU of 1gu4 by Molmil
Crystal structure of C/EBPBETA BZIP homodimer bound to a high affinity DNA fragment
Descriptor: 5'-D(*AP*AP*TP*AP*TP*TP*GP*CP*GP*CP* AP*AP*TP*CP*CP*T)-3', 5'-D(*TP*AP*GP*GP*AP*TP*TP*GP*CP*GP* CP*AP*AP*TP*AP*T)-3', CAAT/ENHANCER BINDING PROTEIN BETA
Authors:Tahirov, T.H, Ogata, K.
Deposit date:2002-01-23
Release date:2003-06-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Flexible Base Recognition by C/Ebpbeta
To be Published

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