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4FTK
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BU of 4ftk by Molmil
Crystal Structure of the CHK1
Descriptor: 3-(4'-hydroxybiphenyl-4-yl)-2,4-dihydroindeno[1,2-c]pyrazol-6-ol, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FV8
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BU of 4fv8 by Molmil
Crystal Structure of the ERK2 complexed with E63
Descriptor: 1,2-ETHANEDIOL, 6-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3H-indazol-3-one, Mitogen-activated protein kinase 1, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-29
Release date:2012-08-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the ERK2 complexed with E63
TO BE PUBLISHED
4FSZ
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BU of 4fsz by Molmil
Crystal Structure of the CHK1
Descriptor: (3-chloro-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl)acetic acid, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FTA
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BU of 4fta by Molmil
Crystal Structure of the CHK1
Descriptor: 6-{[(5-cyanopyrazin-2-yl)carbamoyl]amino}naphthalene-2-carboxylic acid, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FTM
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BU of 4ftm by Molmil
Crystal Structure of the CHK1
Descriptor: 4-[2-(2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethyl]-2-methoxyphenol, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FU9
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BU of 4fu9 by Molmil
Crystal Structure of the Urokinase
Descriptor: 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE, ACETATE ION, GLYCEROL, ...
Authors:Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
Deposit date:2012-06-28
Release date:2012-08-22
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the Urokinase
To be Published
4FV0
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BU of 4fv0 by Molmil
Crystal Structure of the ERK2 complexed with EK3
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 1, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-28
Release date:2012-08-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the ERK2 complexed with EK3
TO BE PUBLISHED
4FST
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BU of 4fst by Molmil
Crystal Structure of the CHK1
Descriptor: 4-[(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)ethynyl]-2-methoxyphenol, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FUF
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BU of 4fuf by Molmil
Crystal Structure of the Urokinase
Descriptor: 8-(3-bromopropoxy)-7-methoxynaphthalene-2-carboximidamide, ACETATE ION, GLYCEROL, ...
Authors:Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
Deposit date:2012-06-28
Release date:2012-08-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Urokinase
to be published
4FW4
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BU of 4fw4 by Molmil
Crystal Structure of the LpxC in complex with N-[(1S,2R)-2-HYDROXY-1-(HYDROXYCARBAMOYL)PROPYL]-4-(4-PHENYLBUTA-1,3-DIYN-1-YL)BENZAMIDE inhibitor
Descriptor: ACETATE ION, GLYCEROL, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, ...
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-29
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal Structure of the LpxC
to be published
4FX3
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BU of 4fx3 by Molmil
Crystal Structure of the CDK2/Cyclin A complex with oxindole inhibitor
Descriptor: (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Cyclin-A2, ...
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-07-02
Release date:2013-05-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structure of the CDK2/Cyclin A complex with oxindole inhibitor
To be Published
4G4L
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BU of 4g4l by Molmil
Crystal structure of the de novo designed peptide alpha4tbA6
Descriptor: ACETYL GROUP, DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, ...
Authors:Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G.
Deposit date:2012-07-16
Release date:2012-10-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Comparison of the structures and stabilities of coiled-coil proteins containing hexafluoroleucine and t-butylalanine provides insight into the stabilizing effects of highly fluorinated amino acid side-chains.
Protein Sci., 21, 2012
4FT7
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BU of 4ft7 by Molmil
Crystal Structure of the CHK1
Descriptor: 1-{5-bromo-2-[(3R)-3-hydroxypiperidin-1-yl]phenyl}-3-(5-cyanopyrazin-2-yl)urea, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FTJ
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BU of 4ftj by Molmil
Crystal Structure of the CHK1
Descriptor: ISOPROPYL ALCOHOL, SULFATE ION, Serine/threonine-protein kinase Chk1, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FSQ
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BU of 4fsq by Molmil
Crystal Structure of the CHK1
Descriptor: 4'-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol, SULFATE ION, Serine/threonine-protein kinase Chk1
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FT0
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BU of 4ft0 by Molmil
Crystal Structure of the CHK1
Descriptor: 2-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FTT
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BU of 4ftt by Molmil
Crystal Structure of the CHK1
Descriptor: ISOPROPYL ALCOHOL, SULFATE ION, Serine/threonine-protein kinase Chk1, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-28
Release date:2012-08-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the CHK1
To be Published
4FUJ
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BU of 4fuj by Molmil
Crystal Structure of the Urokinase
Descriptor: 6-{(E)-2-[3-(2-hydroxyethyl)phenyl]ethenyl}naphthalene-2-carboximidamide, ACETATE ION, GLYCEROL, ...
Authors:Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
Deposit date:2012-06-28
Release date:2012-08-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of the Urokinase
TO BE PUBLISHED
4FW5
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BU of 4fw5 by Molmil
Crystal Structure of the LpxC in complex with 4'-BROMO-N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]BIPHENYL-4-CARBOXAMIDE inhibitor
Descriptor: 4'-bromo-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide, ACETATE ION, GLYCEROL, ...
Authors:Kang, Y.N, Stuckey, J.A.
Deposit date:2012-06-29
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of the LpxC
to be published
4FTQ
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BU of 4ftq by Molmil
Crystal Structure of the CHK1
Descriptor: 5-{7-ethyl-6-[(3S)-tetrahydrofuran-3-yloxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}pyridine-2-carbonitrile, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
Deposit date:2012-06-27
Release date:2012-08-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the CHK1
To be Published
1YTS
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BU of 1yts by Molmil
A LIGAND-INDUCED CONFORMATIONAL CHANGE IN THE YERSINIA PROTEIN TYROSINE PHOSPHATASE
Descriptor: SULFATE ION, YERSINIA PROTEIN TYROSINE PHOSPHATASE
Authors:Schubert, H.L, Stuckey, J.A, Fauman, E.B, Dixon, J.E, Saper, M.A.
Deposit date:1995-04-07
Release date:1995-07-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A ligand-induced conformational change in the Yersinia protein tyrosine phosphatase.
Protein Sci., 4, 1995
6NUQ
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BU of 6nuq by Molmil
Stat3 Core in complex with compound SI109
Descriptor: Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2019-02-01
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
3PBJ
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BU of 3pbj by Molmil
Hydrolytic catalysis and structural stabilization in a designed metalloprotein
Descriptor: CHLORIDE ION, COIL SER L9L-Pen L23H, MERCURY (II) ION, ...
Authors:Zastrow, M.L, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L.
Deposit date:2010-10-20
Release date:2011-11-30
Last modified:2022-05-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Hydrolytic catalysis and structural stabilization in a designed metalloprotein.
Nat Chem, 4, 2012
3H5G
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BU of 3h5g by Molmil
Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides.
Descriptor: ACETATE ION, COIL SER L16D-Pen, ZINC ION
Authors:Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L.
Deposit date:2009-04-22
Release date:2009-07-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides.
Angew.Chem.Int.Ed.Engl., 48, 2009
7TVA
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BU of 7tva by Molmil
Stat5a Core in complex with AK2292
Descriptor: DI(HYDROXYETHYL)ETHER, MALONATE ION, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, ...
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2022-02-04
Release date:2023-02-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.835 Å)
Cite:A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo.
Nat.Chem.Biol., 19, 2023

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