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5E8Z
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BU of 5e8z by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 3-AMINO-6-[4-(2-HYDROXYETHYL)PHENYL]-N-[4-(MORPHOLIN-4-YL)PYRIDIN-3-YL]PYRAZINE-2-CARBOXAMIDE
Descriptor: 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide, TGF-beta receptor type-1
Authors:Sheriff, S.
Deposit date:2015-10-14
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structures of apo and inhibitor-bound TGF beta R2 kinase domain: insights into TGF beta R isoform selectivity.
Acta Crystallogr D Struct Biol, 72, 2016
5EVZ
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BU of 5evz by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with ADP and inorganic phosphate
Descriptor: 78 kDa glucose-regulated protein, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
Deposit date:2015-11-20
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5F2R
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BU of 5f2r by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with AMP-PCP
Descriptor: 78 kDa glucose-regulated protein, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
Deposit date:2015-12-02
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5EXW
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BU of 5exw by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 7-deaza-ATP
Descriptor: 7-deazaadenosine-5'-triphosphate, 78 kDa glucose-regulated protein
Authors:Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
Deposit date:2015-11-24
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5F1X
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BU of 5f1x by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with ATP
Descriptor: 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE
Authors:Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
Deposit date:2015-11-30
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5EY4
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BU of 5ey4 by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 2'-deoxy-ATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 78 kDa glucose-regulated protein
Authors:Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
Deposit date:2015-11-24
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5F0X
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BU of 5f0x by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 2'-deoxy-ADP and inorganic phosphate
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, 78 kDa glucose-regulated protein, ...
Authors:Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
Deposit date:2015-11-28
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
5EX5
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BU of 5ex5 by Molmil
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 7-deaza-ADP and inorganic phosphate
Descriptor: 7-deazaadenosine-5'-diphosphate, 78 kDa glucose-regulated protein, MAGNESIUM ION, ...
Authors:Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W.
Deposit date:2015-11-23
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs.
Plos One, 11, 2016
7VJV
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BU of 7vjv by Molmil
Human AlkB homolog ALKBH6 in complex with alpha-katoglutarate and Mn
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB homolog 6, MANGANESE (II) ION
Authors:Ma, L, Chen, Z.
Deposit date:2021-09-29
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into the interactions and epigenetic functions of human nucleic acid repair protein ALKBH6.
J.Biol.Chem., 298, 2022
7VJS
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BU of 7vjs by Molmil
Human AlkB homolog ALKBH6 in complex with Tris and Ni
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-ketoglutarate-dependent dioxygenase alkB homolog 6, NICKEL (II) ION
Authors:Ma, L, Chen, Z.
Deposit date:2021-09-28
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Structural insights into the interactions and epigenetic functions of human nucleic acid repair protein ALKBH6.
J.Biol.Chem., 298, 2022
7VKH
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BU of 7vkh by Molmil
Crystal structure of AF9 YEATS domain in complex with hit 2
Descriptor: GLYCEROL, Protein AF-9, ~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide
Authors:Liu, Y, Ruan, K.
Deposit date:2021-09-30
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
7EEI
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BU of 7eei by Molmil
Structure of Rift Valley fever virus RNA-dependent RNA polymerase
Descriptor: Replicase
Authors:Wang, X, Hu, C.X.
Deposit date:2021-03-18
Release date:2021-11-17
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of Rift Valley Fever Virus RNA-Dependent RNA Polymerase.
J.Virol., 96, 2022
6BMV
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BU of 6bmv by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP504
Descriptor: 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.053 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMU
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BU of 6bmu by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP244
Descriptor: 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, ...
Authors:Stams, T, Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMY
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BU of 6bmy by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP844
Descriptor: 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, ...
Authors:Stams, T, Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMR
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BU of 6bmr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP244
Descriptor: 4-[(2-chlorophenyl)methyl]-1-(2-hydroxy-3-methoxyphenyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, GLYCEROL, PHOSPHATE ION, ...
Authors:Stams, T, Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMX
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BU of 6bmx by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP844
Descriptor: 1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline, GLYCEROL, PHOSPHATE ION, ...
Authors:Stams, T, Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.424 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
6BMW
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BU of 6bmw by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitors SHP099 and SHP504
Descriptor: 3-{4-[(2-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-4-hydroxybenzoic acid, 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, ...
Authors:Stams, T, Fodor, M.
Deposit date:2017-11-15
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dual Allosteric Inhibition of SHP2 Phosphatase.
ACS Chem. Biol., 13, 2018
4TWD
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BU of 4twd by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with memantine
Descriptor: Cys-loop ligand-gated ion channel, Memantine
Authors:Ulens, C, Spurny, R, Thompson, A.J, Alqazzaz, M, Debaveye, S, Lu, H, Price, K, Villalgordo, J.M, Tresadern, G, Lynch, J.W, Lummis, S.C.R.
Deposit date:2014-06-30
Release date:2014-09-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Prokaryote Ligand-Gated Ion Channel ELIC Captured in a Pore Blocker-Bound Conformation by the Alzheimer's Disease Drug Memantine.
Structure, 22, 2014
4TWH
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BU of 4twh by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) mutant F16'S
Descriptor: Cys-loop ligand-gated ion channel
Authors:Ulens, C, Spurny, R, Thompson, A.J, Alqazzaz, M, Debaveye, S, Lu, H, Price, K, Villalgordo, J.M, Tresadern, G, Lynch, J.W, Lummis, S.C.R.
Deposit date:2014-06-30
Release date:2014-09-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The Prokaryote Ligand-Gated Ion Channel ELIC Captured in a Pore Blocker-Bound Conformation by the Alzheimer's Disease Drug Memantine.
Structure, 22, 2014
4TWF
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BU of 4twf by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with bromomemantine
Descriptor: Bromomemantine, Cys-loop ligand-gated ion channel
Authors:Ulens, C, Spurny, R, Thompson, A.J, Alqazzaz, M, Debaveye, S, Lu, H, Price, K, Villalgordo, J.M, Tresadern, G, Lynch, J.W, Lummis, S.C.R.
Deposit date:2014-06-30
Release date:2014-09-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.901 Å)
Cite:The Prokaryote Ligand-Gated Ion Channel ELIC Captured in a Pore Blocker-Bound Conformation by the Alzheimer's Disease Drug Memantine.
Structure, 22, 2014
6JUE
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BU of 6jue by Molmil
The complex of PDZ and PBM
Descriptor: Partitioning defective 3 homolog, SULFATE ION, THR-ILE-ILE-THR-LEU
Authors:Liu, Z.
Deposit date:2019-04-13
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Par complex cluster formation mediated by phase separation.
Nat Commun, 11, 2020
6LRD
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BU of 6lrd by Molmil
Structure of RecJ complexed with a 5'-P-dSpacer-modified ssDNA
Descriptor: ASP-LEU-PRO-PHE, DNA (5'-D(P*(3DR)P*TP*TP*TP*TP*T)-3'), MANGANESE (II) ION, ...
Authors:Cheng, K, Hua, Y.
Deposit date:2020-01-16
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.901335 Å)
Cite:Participation of RecJ in the base excision repair pathway of Deinococcus radiodurans.
Nucleic Acids Res., 48, 2020
6CYT
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BU of 6cyt by Molmil
HIV-1 TAR loop in complex with Tat:AFF4:P-TEFb
Descriptor: AF4/FMR2 family member 4, Cyclin-T1, Cyclin-dependent kinase 9, ...
Authors:Schulze Gahmen, U, Hurley, J.H.
Deposit date:2018-04-06
Release date:2018-12-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural mechanism for HIV-1 TAR loop recognition by Tat and the super elongation complex.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7VKG
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BU of 7vkg by Molmil
Crystal structure of AF9 YEATS domain in complex with Compound 10
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Protein AF-9, ...
Authors:Liu, Y, Ruan, K.
Deposit date:2021-09-29
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022

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