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4PBZ
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BU of 4pbz by Molmil
Structure of the human RbAp48-MTA1(670-695) complex
Descriptor: Histone-binding protein RBBP4, Metastasis-associated protein MTA1
Authors:Murthy, A, Pei, X.Y, Watson, A.A, Silva, A.P.G, Mackay, J.P, Laue, E.D.
Deposit date:2014-04-14
Release date:2014-06-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Insight into the architecture of the NuRD complex: Structure of the RbAp48-MTA1 sub-complex.
J.Biol.Chem., 289, 2014
1W84
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BU of 1w84 by Molmil
p38 Kinase crystal structure in complex with small molecule inhibitor
Descriptor: 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE, MITOGEN-ACTIVATED PROTEIN KINASE 14
Authors:Tickle, J, Jhoti, H, Cleasby, A, Devine, L.
Deposit date:2004-09-16
Release date:2005-02-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.
J. Med. Chem., 48, 2005
3HVC
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BU of 3hvc by Molmil
Crystal structure of human p38alpha MAP kinase
Descriptor: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, Mitogen-activated protein kinase 14
Authors:Perry, J.J, Tainer, J.A.
Deposit date:2009-06-15
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:p38alpha MAP kinase C-terminal domain binding pocket characterized by crystallographic and computational analyses.
J.Mol.Biol., 391, 2009
1W83
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BU of 1w83 by Molmil
p38 Kinase crystal structure in complex with small molecule inhibitor
Descriptor: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO-
Authors:Tickle, J, Jhoti, H, Cleasby, A, Devine, L.
Deposit date:2004-09-16
Release date:2005-02-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.
J. Med. Chem., 48, 2005
5JBQ
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BU of 5jbq by Molmil
EF-TU (ESCHERICHIA COLI) IN COMPLEX WITH THIOMURACIN ANALOG
Descriptor: Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Palestrant, D, Stams, T.
Deposit date:2016-04-13
Release date:2016-07-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Antibacterial and Solubility Optimization of Thiomuracin A.
J.Med.Chem., 59, 2016
3IW7
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BU of 3iw7 by Molmil
Human p38 MAP Kinase in Complex with an Imidazo-pyridine
Descriptor: 2-({4-[(4-benzylpiperidin-1-yl)carbonyl]benzyl}sulfanyl)-3H-imidazo[4,5-c]pyridine, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Rauh, D.
Deposit date:2009-09-02
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
4PBY
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BU of 4pby by Molmil
Structure of the human RbAp48-MTA1(656-686) complex
Descriptor: Histone-binding protein RBBP4, ISOPROPYL ALCOHOL, Metastasis-associated protein MTA1
Authors:Murthy, A, Lejon, S, Alqarni, S.S.M, Silva, A.P.G, Watson, A.A, Mackay, J.P, Laue, E.D.
Deposit date:2014-04-14
Release date:2014-06-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insight into the architecture of the NuRD complex: Structure of the RbAp48-MTA1 sub-complex.
J.Biol.Chem., 289, 2014
4PC0
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BU of 4pc0 by Molmil
Structure of the human RbAp48-MTA1(670-711) complex
Descriptor: CALCIUM ION, GLYCEROL, Histone-binding protein RBBP4, ...
Authors:Alqarni, S.S.M, Silva, A.P.G, Mackay, J.P, Laue, E.D.
Deposit date:2014-04-14
Release date:2014-06-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insight into the architecture of the NuRD complex: Structure of the RbAp48-MTA1 sub-complex.
J.Biol.Chem., 289, 2014
8ELK
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BU of 8elk by Molmil
HRAS R97F Crystal Form 1
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Mattos, C.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
8ELX
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BU of 8elx by Molmil
HRAS R97I Crystal Form 1
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Mattos, C.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.975 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
8ELT
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BU of 8elt by Molmil
HRAS R97G Crystal Form 2
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Mattos, C.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
8ELV
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BU of 8elv by Molmil
HRAS R97I Crystal Form 2
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Mattos, C.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
8EM0
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BU of 8em0 by Molmil
HRAS R97V Crystal Form 1
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Mattos, C.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.109 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
8ELR
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BU of 8elr by Molmil
HRAS R97F Crystal Form 2
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Mattos, C.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
3GCP
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BU of 3gcp by Molmil
Human P38 MAP Kinase in Complex with SB203580
Descriptor: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Rauh, D.
Deposit date:2009-02-22
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
8ELU
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BU of 8elu by Molmil
HRAS R97G Crystal form 1
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Rodrigues, J.A, Mattos, C.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
8ELW
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BU of 8elw by Molmil
HRAS R97A Crystal Form 1 T-State
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Davis, K, Johnson, C.W, Mattos, C.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
8ELY
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BU of 8ely by Molmil
HRAS R97M Crystal Form 2
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Johnson, C.W, Mattos, C.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
8ELS
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BU of 8els by Molmil
HRAS R97A Crystal Form 1 R-state
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Davis, D, Johnson, C.W, Mattos, C.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.267 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
8ELZ
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BU of 8elz by Molmil
HRAS R97M Crystal Form 1
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GTPase HRas, ...
Authors:Johnson, C.W, Mattos, C.
Deposit date:2022-09-26
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.961 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
4I32
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BU of 4i32 by Molmil
Crystal structure of HCV NS3/4A D168V protease complexed with compound 4
Descriptor: (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ...
Authors:Lemke, C.T.
Deposit date:2012-11-23
Release date:2013-01-02
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (2.3001 Å)
Cite:Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance.
J.Biol.Chem., 288, 2013
3GCV
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BU of 3gcv by Molmil
Human P38 MAP Kinase in Complex with RL62
Descriptor: 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
Deposit date:2009-02-22
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
3HV7
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BU of 3hv7 by Molmil
Human p38 MAP Kinase in Complex with RL38
Descriptor: 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
Deposit date:2009-06-15
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Displacement assay for the detection of stabilizers of inactive kinase conformations.
J.Med.Chem., 53, 2010
6X02
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BU of 6x02 by Molmil
Nup84-Nup133 (aa521-1157) from S. cerevisiae bound by VHH-SAN8
Descriptor: Nucleoporin NUP133, Nucleoporin NUP84, VHH-SAN8
Authors:Nordeen, S.A, Schwartz, T.U.
Deposit date:2020-05-15
Release date:2020-12-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (6.38 Å)
Cite:Yeast Nup84-Nup133 complex structure details flexibility and reveals conservation of the membrane anchoring ALPS motif.
Nat Commun, 11, 2020
6X03
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BU of 6x03 by Molmil
Nup84-Nup133 (aa521-1157) from S. cerevisiae bound by VHH-SAN8 and VHH-SAN9
Descriptor: Nucleoporin NUP133, Nucleoporin NUP84, VHH-SAN8, ...
Authors:Nordeen, S.A, Schwartz, T.U.
Deposit date:2020-05-15
Release date:2020-12-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (7.3 Å)
Cite:Yeast Nup84-Nup133 complex structure details flexibility and reveals conservation of the membrane anchoring ALPS motif.
Nat Commun, 11, 2020

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