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3DSU
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BU of 3dsu by Molmil
Crystal structure of RabGGTase(DELTA LRR; DELTA IG)in complex with farnesyl pyrophosphate
分子名称: CALCIUM ION, FARNESYL DIPHOSPHATE, Geranylgeranyl transferase type-2 subunit alpha, ...
著者Guo, Z, Yu, S, Goody, R.S, Alexandrov, K, Blankenfeldt, W.
登録日2008-07-14
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of RabGGTase-substrate/product complexes provide insights into the evolution of protein prenylation
Embo J., 27, 2008
3DSW
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BU of 3dsw by Molmil
Crystal structure of RabGGTase(DELTA LRR; DELTA IG)in complex with mono-prenylated peptide Ser-Cys(GG)-Ser-Cys derivated from Rab7
分子名称: CALCIUM ION, GERAN-8-YL GERAN, Geranylgeranyl transferase type-2 subunit alpha, ...
著者Guo, Z, Yu, S, Goody, R.S, Alexandrov, K, Blankenfeldt, W.
登録日2008-07-14
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structures of RabGGTase-substrate/product complexes provide insights into the evolution of protein prenylation
Embo J., 27, 2008
5QTZ
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BU of 5qtz by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[1-(2,2-DIFLUOROETHYL)-4-(6-METHYLPYRIDIN-2-YL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-A]PYRIDINE
分子名称: 6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine, GLYCEROL, TGF-beta receptor type-1
著者Sheriff, S.
登録日2019-11-19
公開日2020-02-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent.
Acs Med.Chem.Lett., 11, 2020
5QU0
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BU of 5qu0 by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH 6-[4-(3-CHLORO-4-FLUOROPHENYL)-1-(2-HYDROXYETHYL)-1H-IMIDAZOL-5-YL]IMIDAZO[1,2-B]PYRIDAZINE-3-CARBONITRILE
分子名称: 6-[4-(3-chloro-4-fluorophenyl)-1-(2-hydroxyethyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carbonitrile, GLYCEROL, TGF-beta receptor type-1
著者Sheriff, S.
登録日2019-11-19
公開日2020-02-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery of BMS-986260, a Potent, Selective, and Orally Bioavailable TGF beta R1 Inhibitor as an Immuno-oncology Agent.
Acs Med.Chem.Lett., 11, 2020
6B8Y
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BU of 6b8y by Molmil
TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
分子名称: N-(3-fluoropyridin-4-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, TGF-beta receptor type-1
著者Sheriff, S.
登録日2017-10-09
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Heterobicyclic inhibitors of transforming growth factor beta receptor I (TGF beta RI).
Bioorg. Med. Chem., 26, 2018
5MND
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BU of 5mnd by Molmil
SFX structure of Cydia pomonella granulovirus using a double flow-focusing nozzle
分子名称: Granulin
著者Oberthuer, D, Chapman, H, Doerner, K, Xavier, P.L.
登録日2016-12-13
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Double-flow focused liquid injector for efficient serial femtosecond crystallography.
Sci Rep, 7, 2017
3DSX
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BU of 3dsx by Molmil
Crystal structure of RabGGTase(DELTA LRR; DELTA IG)in complex with di-prenylated peptide Ser-Cys(GG)-Ser-Cys(GG) derivated from Rab7
分子名称: CALCIUM ION, GERAN-8-YL GERAN, Geranylgeranyl transferase type-2 subunit alpha, ...
著者Guo, Z, Yu, S, Goody, R.S, Alexandrov, K, Blankenfeldt, W.
登録日2008-07-14
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of RabGGTase-substrate/product complexes provide insights into the evolution of protein prenylation
Embo J., 27, 2008
4ETC
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BU of 4etc by Molmil
Lysozyme, room temperature, 24 kGy dose
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I.
登録日2012-04-24
公開日2012-06-13
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.906 Å)
主引用文献High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
5FD2
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BU of 5fd2 by Molmil
B-Raf wild-type kinase domain in complex with a purinylpyridinylamino-based inhibitor
分子名称: 6-[2-[[3-(dimethylsulfamoylamino)-2,6-bis(fluoranyl)phenyl]amino]pyridin-3-yl]-7~{H}-purine, Serine/threonine-protein kinase B-raf
著者Whittington, D.A, Epstein, L.F.
登録日2015-12-15
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Purinylpyridinylamino-based DFG-in/ alpha C-helix-out B-Raf inhibitors: Applying mutant versus wild-type B-Raf selectivity indices for compound profiling.
Bioorg.Med.Chem., 24, 2016
3VDQ
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BU of 3vdq by Molmil
Crystal structure of alcaligenes faecalis D-3-hydroxybutyrate dehydrogenase in complex with NAD(+) and acetate
分子名称: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
著者Hoque, M.M, Shimizu, S, Hossain, M.T, Yamamoto, T, Suzuki, K, Takenaka, A.
登録日2012-01-06
公開日2012-02-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structures of Alcaligenes faecalis D-3-hydroxybutyrate dehydrogenase before and after NAD+ and acetate binding suggest a dynamical reaction mechanism as a member of the SDR family.
Acta Crystallogr.,Sect.D, 64, 2008
5E80
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BU of 5e80 by Molmil
The crystal structure of PDEd in complex with inhibitor-2a
分子名称: N-(3-chloro-2-methylphenyl)-4-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)butanamide, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Ismail, S, Fansa, E.K, Murarka, S, Wittinghofer, A.
登録日2015-10-13
公開日2016-05-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of pyrazolopyridazinones as PDE delta inhibitors.
Nat Commun, 7, 2016
5H54
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BU of 5h54 by Molmil
Mdm12 from K. lactis 1-239
分子名称: Mitochondrial distribution and morphology protein 12
著者Kawano, S, Quinbara, S, Endo, T.
登録日2016-11-04
公開日2017-11-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-function insights into direct lipid transfer between membranes by Mmm1-Mdm12 of ERMES
J. Cell Biol., 217, 2018
5GZ8
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BU of 5gz8 by Molmil
Crystal structure of catalytic domain of Protein O-mannosyl Kinase in ligand-free form
分子名称: Protein O-mannose kinase
著者Nagae, M, Yamaguchi, Y.
登録日2016-09-27
公開日2017-03-29
最終更新日2017-12-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献3D structural analysis of protein O-mannosyl kinase, POMK, a causative gene product of dystroglycanopathy.
Genes Cells, 22, 2017
5H55
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BU of 5h55 by Molmil
Mdm12 from K. lactis
分子名称: Mitochondrial distribution and morphology protein 12
著者Kawano, S, Quinbara, S.
登録日2016-11-04
公開日2017-11-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure-function insights into direct lipid transfer between membranes by Mmm1-Mdm12 of ERMES
J. Cell Biol., 217, 2018
5H5C
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BU of 5h5c by Molmil
Mdm12 from K. lactis (1-239), uniformly Lys dimethyl modified, crystallized in FOS-MEA-10
分子名称: Mitochondrial distribution and morphology protein 12
著者Kawano, S, Quinbara, S, Endo, T.
登録日2016-11-05
公開日2017-11-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Structure-function insights into direct lipid transfer between membranes by Mmm1-Mdm12 of ERMES
J. Cell Biol., 217, 2018
5GZ9
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BU of 5gz9 by Molmil
Crystal structure of catalytic domain of Protein O-mannosyl Kinase in complexes with AMP-PNP, Magnesium ions and glycopeptide
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein O-mannose kinase, ...
著者Nagae, M, Yamaguchi, Y.
登録日2016-09-27
公開日2017-03-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献3D structural analysis of protein O-mannosyl kinase, POMK, a causative gene product of dystroglycanopathy.
Genes Cells, 22, 2017
5H5A
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BU of 5h5a by Molmil
Mdm12 from K. lactis (1-239), Lys residues are uniformly dimethyl modified
分子名称: Mitochondrial distribution and morphology protein 12, POTASSIUM ION, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Kawano, S, Quinbara, S, Endo, T.
登録日2016-11-04
公開日2017-11-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structure-function insights into direct lipid transfer between membranes by Mmm1-Mdm12 of ERMES
J. Cell Biol., 217, 2018
6B1I
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BU of 6b1i by Molmil
Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Heat shock protein family A (Hsp70) member 8, ...
著者O'Donnell, J.P.
登録日2017-09-18
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Disrupted Hydrogen-Bond Network and Impaired ATPase Activity in an Hsc70 Cysteine Mutant.
Biochemistry, 57, 2018
7VSF
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BU of 7vsf by Molmil
crystal structure of BRD2-BD1 in complex with purine derivative
分子名称: 3-methyl-7-propyl-purine-2,6-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain-containing protein 2, ...
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-26
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VRK
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BU of 7vrk by Molmil
crystal structure of BRD2-BD1 in complex with purine derivative
分子名称: Bromodomain-containing protein 2, SULFATE ION, THEOPHYLLINE
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-23
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VRH
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BU of 7vrh by Molmil
crystal structure of BRD2-BD1 in complex with guanosine analog
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 9-HYROXYETHOXYMETHYLGUANINE, Bromodomain-containing protein 2, ...
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-22
公開日2023-02-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VS1
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BU of 7vs1 by Molmil
crystal structure of BRD2-BD2 in complex with purine derivative
分子名称: 3-methyl-7-propyl-purine-2,6-dione, Bromodomain-containing protein 2, GLYCEROL
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-25
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VRI
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BU of 7vri by Molmil
crystal structure of BRD2-BD2 in complex with guanosine analog
分子名称: 9-HYROXYETHOXYMETHYLGUANINE, Bromodomain-containing protein 2
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-23
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
7VRZ
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BU of 7vrz by Molmil
crystal structure of BRD2-BD1 in complex with purine derivative
分子名称: Bromodomain-containing protein 2, Doxofylline, SULFATE ION
著者Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S, Mathur, S.
登録日2021-10-25
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural and biochemical insights into purine-based drug molecules in hBRD2 delineate a unique binding mode opening new vistas in the design of inhibitors of the BET family.
Acta Crystallogr D Struct Biol, 79, 2023
6B1M
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Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant
分子名称: GLYCEROL, Heat shock protein family A (Hsp70) member 8, MAGNESIUM ION, ...
著者O'Donnell, J.P.
登録日2017-09-18
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Disrupted Hydrogen-Bond Network and Impaired ATPase Activity in an Hsc70 Cysteine Mutant.
Biochemistry, 57, 2018

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