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7SI4
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BU of 7si4 by Molmil
CRYSTAL STRUCTURE OF EED WITH MRTX-2219
Descriptor: (4S)-8-{4-[(dimethylamino)methyl]-2-methylphenyl}-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile, FORMIC ACID, Polycomb protein EED
Authors:Gunn, R.J, Burns, A.C, Lawson, J.D, Marx, M.A.
Deposit date:2021-10-12
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:CRYSTAL STRUCTURE OF EED WITH MRTX-2219
TO BE PUBLISHED
1BX6
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BU of 1bx6 by Molmil
CRYSTAL STRUCTURE OF THE POTENT NATURAL PRODUCT INHIBITOR BALANOL IN COMPLEX WITH THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE
Descriptor: BALANOL, CAMP-DEPENDENT PROTEIN KINASE
Authors:Narayana, N, Xuong, N.-H, Ten Eyck, L.F, Taylor, S.S.
Deposit date:1998-10-13
Release date:1999-04-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the potent natural product inhibitor balanol in complex with the catalytic subunit of cAMP-dependent protein kinase.
Biochemistry, 38, 1999
1BKX
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BU of 1bkx by Molmil
A BINARY COMPLEX OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE AND ADENOSINE FURTHER DEFINES CONFORMATIONAL FLEXIBILITY
Descriptor: ADENOSINE MONOPHOSPHATE, CAMP-DEPENDENT PROTEIN KINASE
Authors:Narayana, N, Cox, S, Xuong, N, Ten Eyck, L.F, Taylor, S.S.
Deposit date:1997-07-01
Release date:1998-03-18
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A binary complex of the catalytic subunit of cAMP-dependent protein kinase and adenosine further defines conformational flexibility.
Structure, 5, 1997
2OZA
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BU of 2oza by Molmil
Structure of p38alpha complex
Descriptor: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14
Authors:White, A, Pargellis, C.A, Studts, J.M, Werneburg, B.G, Farmer II, B.T.
Deposit date:2007-02-25
Release date:2007-04-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular basis of MAPK-activated protein kinase 2:p38 assembly
Proc.Natl.Acad.Sci.Usa, 104, 2007
1D2N
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BU of 1d2n by Molmil
D2 DOMAIN OF N-ETHYLMALEIMIDE-SENSITIVE FUSION PROTEIN
Descriptor: GLYCEROL, MAGNESIUM ION, N-ETHYLMALEIMIDE-SENSITIVE FUSION PROTEIN, ...
Authors:Lenzen, C.U, Steinmann, D, Whiteheart, S.W, Weis, W.I.
Deposit date:1998-06-30
Release date:1998-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the hexamerization domain of N-ethylmaleimide-sensitive fusion protein.
Cell(Cambridge,Mass.), 94, 1998
4BTE
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BU of 4bte by Molmil
DJ-1 Cu(I) complex
Descriptor: COPPER (I) ION, PROTEIN DJ-1
Authors:Puno, M.R.A, Odell, M, Moody, P.C.E.
Deposit date:2013-06-14
Release date:2013-11-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure of Cu(I)-Bound Dj-1 Reveals a Biscysteinate Metal Binding Site at the Homodimer Interface: Insights Into Mutational Inactivation of Dj-1 in Parkinsonism.
J.Am.Chem.Soc., 135, 2013
4HR9
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BU of 4hr9 by Molmil
Human interleukin 17A
Descriptor: Interleukin-17A
Authors:Liu, S.
Deposit date:2012-10-26
Release date:2013-05-22
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structures of interleukin 17A and its complex with IL-17 receptor A.
Nat Commun, 4, 2013
2PUU
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BU of 2puu by Molmil
Crystal structure of p38 complex with 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(6-morpholin-4-ylmethyl-pyridin-3-yl)naphthalen-1-yl]urea
Descriptor: 5-TERT-BUTYL-2-(4-METHYLPHENYL)-3-{[({4-[6-(MORPHOLIN-4-YLMETHYL)PYRIDIN-3-YL]-1-NAPHTHYL}AMINO)CARBONYL]AMINO}-1H-PYRAZOL-2-IUM, Mitogen-activated protein kinase 14
Authors:Qian, K.C.
Deposit date:2007-05-09
Release date:2008-05-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A new class of p38 MAP kinase inhibitors based on the pyrazole-naphthyl urea scaffold
To be Published
1ERT
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BU of 1ert by Molmil
HUMAN THIOREDOXIN (REDUCED FORM)
Descriptor: THIOREDOXIN
Authors:Weichsel, A, Gasdaska, J.R, Powis, G, Montfort, W.R.
Deposit date:1996-02-07
Release date:1996-10-14
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of reduced, oxidized, and mutated human thioredoxins: evidence for a regulatory homodimer.
Structure, 4, 1996
1UBD
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BU of 1ubd by Molmil
CO-CRYSTAL STRUCTURE OF HUMAN YY1 ZINC FINGER DOMAIN BOUND TO THE ADENO-ASSOCIATED VIRUS P5 INITIATOR ELEMENT
Descriptor: DNA (5'-D(*AP*GP*GP*GP*TP*CP*TP*CP*CP*AP*TP*TP*TP*TP*GP*AP*A P*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*CP*AP*AP*AP*AP*TP*GP*GP*AP*GP*AP*C P*CP*CP*T)-3'), PROTEIN (YY1 ZINC FINGER DOMAIN), ...
Authors:Houbaviy, H.B, Usheva, A, Shenk, T, Burley, S.K.
Deposit date:1996-10-04
Release date:1996-12-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Cocrystal structure of YY1 bound to the adeno-associated virus P5 initiator.
Proc.Natl.Acad.Sci.USA, 93, 1996
2E70
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BU of 2e70 by Molmil
Solution structure of the fifth KOW motif of human transcription elongation factor SPT5
Descriptor: Transcription elongation factor SPT5
Authors:Tanabe, W, Suzuki, S, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-01-05
Release date:2007-07-10
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the fifth KOW motif of human transcription elongation factor SPT5
To be Published
6IN8
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BU of 6in8 by Molmil
Crystal structure of MucB
Descriptor: Sigma factor AlgU regulatory protein MucB
Authors:Li, S, Zhang, Q, Bartlam, M.
Deposit date:2018-10-24
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Febs J., 286, 2019
6V0N
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BU of 6v0n by Molmil
PRMT5 bound to PBM peptide from Riok1
Descriptor: Methylosome protein 50, Protein arginine N-methyltransferase 5, Riok1 PBM peptide, ...
Authors:McMIllan, B.J, Raymond, D.D.
Deposit date:2019-11-19
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Molecular basis for substrate recruitment to the PRMT5 methylosome.
Mol.Cell, 81, 2021
6UXY
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BU of 6uxy by Molmil
PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 8
Descriptor: (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Palte, R.L, Schneider, S.E.
Deposit date:2019-11-08
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5).
Acs Med.Chem.Lett., 11, 2020
8G0H
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BU of 8g0h by Molmil
Human PARP1 deltaV687-E688 bound to UKTT5 (compound 10) and to a DNA double strand break.
Descriptor: 2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide, DNA (5'-D(*CP*GP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*CP*G)-3'), ...
Authors:Rouleau-Turcotte, E, Pascal, J.M.
Deposit date:2023-01-31
Release date:2024-02-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
6IN9
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BU of 6in9 by Molmil
Crystal structure of MucB in complex with MucA(peri)
Descriptor: Sigma factor AlgU negative regulatory protein, Sigma factor AlgU regulatory protein MucB
Authors:Li, S, Zhang, Q, Bartlam, M.
Deposit date:2018-10-24
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Febs J., 286, 2019
6V0O
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BU of 6v0o by Molmil
PRMT5 bound to the PBM peptide from pICln
Descriptor: ACETYL GROUP, Methylosome protein 50, PBM peptide, ...
Authors:McMillan, B.J, Raymond, D.D.
Deposit date:2019-11-19
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Molecular basis for substrate recruitment to the PRMT5 methylosome.
Mol.Cell, 81, 2021
3L5X
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BU of 3l5x by Molmil
Crystal structure of the complex between IL-13 and H2L6 FAB
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, H2L6 HEAVY CHAIN, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2009-12-22
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human framework adaptation of a mouse anti-human IL-13 antibody.
J.Mol.Biol., 398, 2010
6UXX
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BU of 6uxx by Molmil
PRMT5:MEP50 Complexed with Allosteric Inhibitor Compound 1a
Descriptor: (5R)-2-amino-5-(4-methoxyphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-yl]-3,5-dihydro-4H-imidazol-4-one, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:Palte, R.L, Schneider, S.E.
Deposit date:2019-11-08
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Allosteric Modulation of Protein Arginine Methyltransferase 5 (PRMT5).
Acs Med.Chem.Lett., 11, 2020
3LL8
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BU of 3ll8 by Molmil
Crystal Structure of Calcineurin in Complex with AKAP79 Peptide
Descriptor: AKAP79 peptide, CALCIUM ION, Calcineurin subunit B type 1, ...
Authors:Li, H, Hogan, P.G.
Deposit date:2010-01-28
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Balanced interactions of calcineurin with AKAP79 regulate Ca(2+)-calcineurin-NFAT signaling.
Nat.Struct.Mol.Biol., 19, 2012
6V0P
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BU of 6v0p by Molmil
PRMT5 complex bound to covalent PBM inhibitor BRD6711
Descriptor: 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide, CHLORIDE ION, GLYCEROL, ...
Authors:McMillan, B.J, McKinney, D.C.
Deposit date:2019-11-19
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Discovery of a First-in-Class Inhibitor of the PRMT5-Substrate Adaptor Interaction.
J.Med.Chem., 64, 2021
3L5W
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BU of 3l5w by Molmil
Crystal structure of the complex between IL-13 and C836 FAB
Descriptor: C836 HEAVY CHAIN, C836 LIGHT CHAIN, GLYCEROL, ...
Authors:Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
Deposit date:2009-12-22
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human framework adaptation of a mouse anti-human IL-13 antibody.
J.Mol.Biol., 398, 2010
7VG7
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BU of 7vg7 by Molmil
Plexin B1 extracellular fragment in complex with lasso-grafted PB1m6A9 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-B1, TRIETHYLENE GLYCOL, ...
Authors:Sugano, N.N, Hirata, K, Yamashita, K, Yamamoto, M, Arimori, T, Takagi, J.
Deposit date:2021-09-14
Release date:2022-08-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:De novo Fc-based receptor dimerizers differentially modulate PlexinB1 function.
Structure, 30, 2022
7VF3
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BU of 7vf3 by Molmil
Plexin B1 extracellular fragment in complex with lasso-grafted PB1m7 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Plexin-B1, ...
Authors:Sugano, N.N, Hirata, K, Yamashita, K, Yamamoto, M, Arimori, T, Takagi, J.
Deposit date:2021-09-10
Release date:2022-08-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:De novo Fc-based receptor dimerizers differentially modulate PlexinB1 function.
Structure, 30, 2022
3QFA
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BU of 3qfa by Molmil
Crystal structure of the human thioredoxin reductase-thioredoxin complex
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Thioredoxin, ...
Authors:Fritz-Wolf, K, Kehr, S, Stumpf, M, Rahlfs, S, Becker, K.
Deposit date:2011-01-21
Release date:2011-07-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the human thioredoxin reductase-thioredoxin complex
Nat Commun, 2, 2011

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數據於2024-10-09公開中

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