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1T79
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BU of 1t79 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with a FxxLW motif
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, FxxLW motif peptide
Authors:Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J.
Deposit date:2004-05-08
Release date:2004-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004
6L69
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BU of 6l69 by Molmil
Crystal structure of CYP154C2 from Streptomyces avermitilis
Descriptor: Cytochrome P450 hydroxylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Xu, L.H, Fushinobu, S.
Deposit date:2019-10-28
Release date:2020-09-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Regio- and stereoselective hydroxylation of testosterone by a novel cytochrome P450 154C2 from Streptomyces avermitilis.
Biochem.Biophys.Res.Commun., 522, 2020
6H15
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BU of 6h15 by Molmil
Structure of LRP6 P3E3P4E4 in complex with VHH L-P2-B10
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Gros, P, van Scherpenzeel, R.C.
Deposit date:2018-07-11
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Anti-LRP5/6 VHHs promote differentiation of Wnt-hypersensitive intestinal stem cells.
Nat Commun, 10, 2019
5X57
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BU of 5x57 by Molmil
Structure of GAR domain of ACF7
Descriptor: Microtubule-actin cross-linking factor 1, isoforms 1/2/3/5, NICKEL (II) ION
Authors:Yang, F, Wang, T, Zhang, Y, Wu, X.Y.
Deposit date:2017-02-15
Release date:2017-07-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:ACF7 regulates inflammatory colitis and intestinal wound response by orchestrating tight junction dynamics.
Nat Commun, 8, 2017
7ZW8
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BU of 7zw8 by Molmil
Identification of M4205 a highly selective inhibitor of cKIT mutations for unresectable metastatic or recurrent GIST
Descriptor: Mast/stem cell growth factor receptor Kit, ~{N}-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
Authors:Graedler, U, Lammens, A.
Deposit date:2022-05-19
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.119 Å)
Cite:Identification of M4205─A Highly Selective Inhibitor of KIT Mutations for Treatment of Unresectable Metastatic or Recurrent Gastrointestinal Stromal Tumors.
J.Med.Chem., 66, 2023
7ZY6
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BU of 7zy6 by Molmil
Identification of M4205 a highly selective inhibitor of cKIT mutations for unresectable metastatic or recurrent GIST
Descriptor: 5-imidazo[1,2-a]pyridin-3-yl-~{N}-[(1~{R})-1-(6-pyrrolidin-1-ylpyridin-3-yl)ethyl]pyridin-3-amine, HUMAN PROTO-ONCOGENE C-KIT
Authors:Graedler, U, Lammens, A.
Deposit date:2022-05-24
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Identification of M4205─A Highly Selective Inhibitor of KIT Mutations for Treatment of Unresectable Metastatic or Recurrent Gastrointestinal Stromal Tumors.
J.Med.Chem., 66, 2023
6SU5
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BU of 6su5 by Molmil
Ph2119 endolysin from Thermus scotoductus MAT2119 bacteriophage Ph2119
Descriptor: GLYCEROL, Lysozyme, PHOSPHATE ION, ...
Authors:Hakansson, M, Al-Karadaghi, S, Plotka, M, Kaczorowska, A.K, Kaczorowski, T.
Deposit date:2019-09-13
Release date:2020-09-30
Last modified:2021-04-14
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Molecular Characterization of a Novel Lytic Enzyme LysC from Clostridium intestinale URNW and Its Antibacterial Activity Mediated by Positively Charged N -Terminal Extension.
Int J Mol Sci, 21, 2020
1T65
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BU of 1t65 by Molmil
Crystal structure of the androgen receptor ligand binding domain with DHT and a peptide derived form its physiological coactivator GRIP1 NR box 2 bound in a non-helical conformation
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 2
Authors:Estebanez-Perpina, E, Moore, J.M.R, Mar, E, Nguyen, P, Delgado-Rodrigues, E, Baxter, J.D, Webb, P, Fletterick, R.J, Guy, R.K.
Deposit date:2004-05-05
Release date:2005-01-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor.
J.Biol.Chem., 280, 2005
1T63
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BU of 1t63 by Molmil
Crystal Structure of the Androgen Receptor Ligand Binding Domain with DHT and a peptide derived from its physiological coactivator GRIP1 NR box3
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor coactivator 2
Authors:Estebanez-Perpina, E, Moore, J.M.R, Mar, E, Nguyen, P, Delgado-Rodrigues, E, Baxter, J.D, Webb, P, Fletterick, R.J, Guy, R.K.
Deposit date:2004-05-05
Release date:2005-01-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The Molecular Mechanisms of Coactivator Utilization in Ligand-dependent Transactivation by the Androgen Receptor.
J.Biol.Chem., 280, 2005
3DHE
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BU of 3dhe by Molmil
ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE COMPLEXED DEHYDROEPIANDROSTERONE
Descriptor: 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE
Authors:Han, Q, Campbell, R.L, Gangloff, A, Lin, S.X.
Deposit date:1998-03-25
Release date:1999-09-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Dehydroepiandrosterone and dihydrotestosterone recognition by human estrogenic 17beta-hydroxysteroid dehydrogenase. C-18/c-19 steroid discrimination and enzyme-induced strain.
J.Biol.Chem., 275, 2000
7A1R
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BU of 7a1r by Molmil
Crystal structure of the C2B domain of Trypanosoma brucei extended synaptotagmin (E-Syt)
Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Dong, G.
Deposit date:2020-08-13
Release date:2021-06-02
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural studies of the shortest extended synaptotagmin with only two C2 domains from Trypanosoma brucei .
Iscience, 24, 2021
5T98
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BU of 5t98 by Molmil
Crystal structure of BuGH2Awt
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoside Hydrolase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA1
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BU of 5ta1 by Molmil
Crystal structure of BuGH86wt
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA9
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BU of 5ta9 by Molmil
Crystal structure of BuGH117Bwt in complex with neoagarobiose
Descriptor: 3,6-anhydro-alpha-L-galactopyranose, Glycoside Hydrolase, MAGNESIUM ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
6YMF
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BU of 6ymf by Molmil
Crystal structure of serine hydroxymethyltransferase from Aphanothece halophytica in the PLP-Serine external aldimine state
Descriptor: GLYCEROL, PENTAETHYLENE GLYCOL, Serine hydroxymethyltransferase, ...
Authors:Ruszkowski, M, Sekula, B, Nogues, I, Tramonti, A, Angelaccio, S, Contestabile, R.
Deposit date:2020-04-08
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural and kinetic properties of serine hydroxymethyltransferase from the halophytic cyanobacterium Aphanothece halophytica provide a rationale for salt tolerance.
Int.J.Biol.Macromol., 159, 2020
5T9G
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BU of 5t9g by Molmil
Crystal structure of BuGH2Cwt in complex with Galactoisofagomine
Descriptor: 1,2-ETHANEDIOL, D-galacto-isofagomine, Glycoside Hydrolase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA7
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BU of 5ta7 by Molmil
Crystal structure of BuGH117Bwt
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycoside Hydrolase, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5T9A
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BU of 5t9a by Molmil
Crystal structure of BuGH2Cwt
Descriptor: 1,2-ETHANEDIOL, Glycoside Hydrolase, SULFATE ION
Authors:Pluvinage, B, Boraston, A.B, Abbott, W.D.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
5TA0
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BU of 5ta0 by Molmil
Crystal structure of BuGH86E322Q in complex with neoagarooctaose
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Pluvinage, B, Boraston, A.B, Abbott, W.D.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018
7KHJ
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BU of 7khj by Molmil
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX8512 in the DFG-in state
Descriptor: 2-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, Mast/stem cell growth factor receptor Kit
Authors:Zhang, Y.
Deposit date:2020-10-21
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021
7KHK
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BU of 7khk by Molmil
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX9486 (bezuclastinib) in the DFG-in state
Descriptor: 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide, Mast/stem cell growth factor receptor Kit
Authors:Zhang, Y.
Deposit date:2020-10-21
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021
6YME
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BU of 6yme by Molmil
Crystal structure of serine hydroxymethyltransferase from Aphanothece halophytica in the PLP-internal aldimine state
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Serine hydroxymethyltransferase
Authors:Ruszkowski, M, Sekula, B, Nogues, I, Tramonti, A, Angelaccio, S, Contestabile, R.
Deposit date:2020-04-08
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural and kinetic properties of serine hydroxymethyltransferase from the halophytic cyanobacterium Aphanothece halophytica provide a rationale for salt tolerance.
Int.J.Biol.Macromol., 159, 2020
7KHG
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BU of 7khg by Molmil
Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX3397
Descriptor: 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine, Mast/stem cell growth factor receptor Kit
Authors:Zhang, Y.
Deposit date:2020-10-21
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021
6YMD
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BU of 6ymd by Molmil
Crystal structure of serine hydroxymethyltransferase from Aphanothece halophytica in the covalent complex with malonate
Descriptor: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, MALONATE ION, ...
Authors:Ruszkowski, M, Sekula, B, Nogues, I, Tramonti, A, Angelaccio, S, Contestabile, R.
Deposit date:2020-04-08
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural and kinetic properties of serine hydroxymethyltransferase from the halophytic cyanobacterium Aphanothece halophytica provide a rationale for salt tolerance.
Int.J.Biol.Macromol., 159, 2020
5T99
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BU of 5t99 by Molmil
Crystal structure of BuGH2Awt in complex with Galactoisofagomine
Descriptor: 1,2-ETHANEDIOL, D-galacto-isofagomine, Glycoside Hydrolase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2016-09-09
Release date:2017-09-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont.
Nat Commun, 9, 2018

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