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8CLB
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BU of 8clb by Molmil
Colchicine bound to tubulin (T2R-TTL) complex
分子名称: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Wranik, M, Kepa, M.W, Bertrand, Q, Weinert, T, Steinmetz, M, Standfuss, J.
登録日2023-02-16
公開日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CL6
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BU of 8cl6 by Molmil
Lysozyme in matrix of hydroxyethylcellulose (HEC)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, LYSOZYME, ...
著者Bertrand, Q, Kepa, M.W, Weinert, T, Wranik, M, Standfuss, J.
登録日2023-02-16
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLH
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BU of 8clh by Molmil
Drug cocktail (Colchicine, Epothilone A, Peloruside, Ansamitocin P3, Vinblastine) bound to tubulin (T2R-TTL) complex
分子名称: (1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate, (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, CALCIUM ION, ...
著者Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J.
登録日2023-02-16
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLF
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BU of 8clf by Molmil
Z-SolQ2Br bound to tubulin (T2R-TTL) complex
分子名称: 5-[[4-(2-bromoethyl)-3,5-dimethoxy-phenyl]diazenyl]-2-methoxy-phenol, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Wranik, M, Bertrand, Q, Kepa, M, Weinert, T, Steinmetz, M, Standfuss, J.
登録日2023-02-16
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CL5
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BU of 8cl5 by Molmil
Lysozyme in matrix of lipidic cubic phase of monoolein (LCP)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, LYSOZYME, ...
著者Bertrand, Q, Kepa, M.W, Weinert, T, Wranik, M, Standfuss, J.
登録日2023-02-16
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLD
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BU of 8cld by Molmil
Ansamitocin P3 bound to tubulin (T2R-TTL) complex
分子名称: (1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate, CALCIUM ION, Detyrosinated tubulin alpha-1B chain, ...
著者Wranik, M, Kepa, M.W, Bertrand, Q, Weinert, T, Steinmetz, M, Standfuss, J.
登録日2023-02-16
公開日2023-12-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLC
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BU of 8clc by Molmil
Tubulin (T2R-TTL) complex
分子名称: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J.
登録日2023-02-16
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CL9
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BU of 8cl9 by Molmil
Tubulin-DARPin D1 complex
分子名称: DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN) D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Wranik, M, Bertrand, Q, Weinert, T, Kepa, M.W, Steinmetz, M, Standfuss, J.
登録日2023-02-16
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLG
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BU of 8clg by Molmil
Epothilone A and Colchicine bound to tubulin (T2R-TTL) complex
分子名称: CALCIUM ION, EPOTHILONE A, GUANOSINE-5'-DIPHOSPHATE, ...
著者Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J.
登録日2023-02-16
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLA
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BU of 8cla by Molmil
Z-SBTubA4 photoswitch bound to tubulin-DARPin D1 complex
分子名称: 2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol, CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
著者Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J.
登録日2023-02-16
公開日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free electron lasers
To Be Published
6B4W
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BU of 6b4w by Molmil
TTK in Complex with Inhibitor
分子名称: 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide, CACODYLATE ION, Dual specificity protein kinase TTK
著者Delker, S, Chamberlain, P.P.
登録日2017-09-27
公開日2017-10-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen.
J. Med. Chem., 60, 2017
6NO9
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BU of 6no9 by Molmil
PIM1 in complex with Cpd16 (5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide)
分子名称: 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide, GLYCEROL, PHOSPHATE ION, ...
著者Murray, J.M, Noland, C.
登録日2019-01-15
公開日2019-02-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.712 Å)
主引用文献Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the Treatment of Multiple Myeloma.
J. Med. Chem., 62, 2019
3WG5
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BU of 3wg5 by Molmil
1510-N membrane-bound stomatin-specific protease K138A mutant in complex with a substrate peptide under heat treatment
分子名称: 441aa long hypothetical nfeD protein, CHLORIDE ION, GLYCEROL, ...
著者Yokoyama, H, Fujii, S, Matsui, I.
登録日2013-07-26
公開日2013-10-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and biochemical analysis of a thermostable membrane-bound stomatin-specific protease.
J.Synchrotron Radiat., 20, 2013
8WOP
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BU of 8wop by Molmil
Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, wild-type
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase 2, URIDINE-5'-DIPHOSPHATE
著者Matsumoto, M, Umezawa, A, Kotake, T, Fushinobu, S.
登録日2023-10-07
公開日2024-05-08
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis.
Plant J., 119, 2024
8WOV
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BU of 8wov by Molmil
Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, G233A mutant
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase 2, URIDINE-5'-DIPHOSPHATE
著者Matsumoto, M, Umezawa, A, Kotake, T, Fushinobu, S.
登録日2023-10-07
公開日2024-05-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis.
Plant J., 119, 2024
8WOW
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BU of 8wow by Molmil
Crystal structure of Arabidopsis thaliana UDP-glucose 4-epimerase 2 (AtUGE2) complexed with UDP, I160L/G233A mutant
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, UDP-glucose 4-epimerase 2, ...
著者Matsumoto, M, Umezawa, A, Kotake, T, Fushinobu, S.
登録日2023-10-08
公開日2024-05-15
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Cytosolic UDP-L-arabinose synthesis by bifunctional UDP-glucose 4-epimerases in Arabidopsis.
Plant J., 119, 2024
5O5W
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BU of 5o5w by Molmil
Molybdenum storage protein room-temperature structure determined by serial millisecond crystallography
分子名称: (mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (VI), ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Steffen, B, Weinert, T, Ermler, U, Standfuss, J.
登録日2017-06-02
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
2KHA
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BU of 2kha by Molmil
Solution Structure of a Pathogen Recognition Domain from a Lepidopteran Insect, Plodia interpunctella
分子名称: Beta-1,3-glucan-binding protein
著者Dai, H, Hiromasa, Y, Fabrick, J, Vandervelde, D, Kanost, M, Krishnamoorthi, R.
登録日2009-03-29
公開日2010-03-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献An initial event in the insect innate immune response: structural and biological studies of interactions between beta-1,3-glucan and the N-terminal domain of beta-1,3-glucan recognition protein
Biochemistry, 52, 2013
5CAX
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BU of 5cax by Molmil
CRYSTAL STRUCTURE OF METHANOSARCINA ACETIVORANS METHANOREDOXIN
分子名称: ACETIC ACID, CADMIUM ION, Glutaredoxin, ...
著者Yennawar, N.H, Yennawar, H.P, Ferry, G.J.
登録日2015-06-30
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.451 Å)
主引用文献Structural and Biochemical Characterizations of Methanoredoxin from Methanosarcina acetivorans, a Glutaredoxin-Like Enzyme with Coenzyme M-Dependent Protein Disulfide Reductase Activity.
Biochemistry, 55, 2016
2N0W
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BU of 2n0w by Molmil
Mdmx-SJ212
分子名称: 4-({(4S,5R)-4-(5-bromo-2-fluorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, Protein Mdm4
著者Grace, C.R, Kriwacki, R.W.
登録日2015-03-17
公開日2016-01-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Monitoring Ligand-Induced Protein Ordering in Drug Discovery.
J.Mol.Biol., 428, 2016
2N06
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BU of 2n06 by Molmil
Mdmx-298
分子名称: 4-[[(4S,5R)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]piperazin-2-one, Protein Mdm4
著者Grace, C.R, Kriwacki, R.W.
登録日2015-03-04
公開日2016-01-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Monitoring Ligand-Induced Protein Ordering in Drug Discovery.
J.Mol.Biol., 428, 2016
2N14
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BU of 2n14 by Molmil
Mdmx-295
分子名称: 4-({(4S,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, Protein Mdm4
著者Grace, C.R, Kriwacki, R.W.
登録日2015-03-20
公開日2016-01-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Monitoring Ligand-Induced Protein Ordering in Drug Discovery.
J.Mol.Biol., 428, 2016
2N0U
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BU of 2n0u by Molmil
Mdmx-057
分子名称: 4-[(4S,5R)-4-(3-chlorophenyl)-5-(4-chlorophenyl)-1-(3-oxidanylidenepiperazin-1-yl)carbonyl-4,5-dihydroimidazol-2-yl]-3-propan-2-yloxy-benzenecarbonitrile, Protein Mdm4
著者Grace, C.R, Kriwacki, R.W.
登録日2015-03-17
公開日2016-01-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Monitoring Ligand-Induced Protein Ordering in Drug Discovery.
J.Mol.Biol., 428, 2016
2MWY
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BU of 2mwy by Molmil
Mdmx-p53
分子名称: Cellular tumor antigen p53, Protein Mdm4
著者Grace, C.R.
登録日2014-12-03
公開日2016-01-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Monitoring Ligand-Induced Protein Ordering in Drug Discovery.
J.Mol.Biol., 428, 2016
8GJY
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BU of 8gjy by Molmil
Structure of a cGAS-like receptor Sp-cGLR1 from S. pistillata
分子名称: cGAS-like receptor 1
著者Li, Y, Toyoda, H, Slavik, K.M, Morehouse, B.R, Kranzusch, P.J.
登録日2023-03-16
公開日2023-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023

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