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7BNK
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BU of 7bnk by Molmil
Crystal structure of ParB from Myxococcus xanthus bound to CDP and Monothiophosphate
分子名称: CYTIDINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Altegoer, F, Bange, G.
登録日2021-01-22
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The CTPase activity of ParB determines the size and dynamics of prokaryotic DNA partition complexes.
Mol.Cell, 81, 2021
8QE2
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BU of 8qe2 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 21
分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.109 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QE0
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BU of 8qe0 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 12
分子名称: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Schimpl, M.
登録日2023-08-30
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
4Y7J
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BU of 4y7j by Molmil
Structure of an archaeal mechanosensitive channel in expanded state
分子名称: Large conductance mechanosensitive channel protein,Riboflavin synthase, nonyl beta-D-glucopyranoside
著者Li, J, Liu, Z.
登録日2015-02-15
公開日2015-08-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Mechanical coupling of the multiple structural elements of the large-conductance mechanosensitive channel during expansion
Proc.Natl.Acad.Sci.USA, 112, 2015
7AR4
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BU of 7ar4 by Molmil
Crystal structure of beta-catenin in complex with cyclic peptide inhibitor
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Cadherin-1, ...
著者Wendt, M, Pearce, N.M, Grossmann, T.N, Hennig, S.
登録日2020-10-23
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Bicyclic beta-Sheet Mimetics that Target the Transcriptional Coactivator beta-Catenin and Inhibit Wnt Signaling.
Angew.Chem.Int.Ed.Engl., 60, 2021
6EKA
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BU of 6eka by Molmil
Solid-state MAS NMR structure of the HELLF prion amyloid fibrils
分子名称: Podospora anserina S mat+ genomic DNA chromosome 3, supercontig 2
著者Martinez, D, Daskalov, A, Andreas, L, Bardiaux, B, Coustou, V, Stanek, J, Berbon, M, Noubhani, M, Kauffmann, B, Wall, J.S, Pintacuda, G, Saupe, S.J, Habenstein, B, Loquet, A.
登録日2017-09-25
公開日2018-10-10
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献Structural and molecular basis of cross-seeding barriers in amyloids
Proc.Natl.Acad.Sci.USA, 118, 2021
8SUX
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BU of 8sux by Molmil
Structure of E. coli PtuA hexamer
分子名称: ADENOSINE-5'-TRIPHOSPHATE, PtuA
著者Shen, Z.F, Yang, X.Y, Fu, T.M.
登録日2023-05-13
公開日2024-01-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献PtuA and PtuB assemble into an inflammasome-like oligomer for anti-phage defense.
Nat.Struct.Mol.Biol., 31, 2024
6SBA
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BU of 6sba by Molmil
Crystal Structure of mTEAD with a VGL4 Tertiary Structure Mimetic
分子名称: ACETYL GROUP, GLYCEROL, Transcriptional enhancer factor TEF-3, ...
著者Adihou, H, Grossmann, T.N, Waldmann, H, Gasper, R.
登録日2019-07-19
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A protein tertiary structure mimetic modulator of the Hippo signalling pathway.
Nat Commun, 11, 2020
5YEG
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BU of 5yeg by Molmil
Crystal structure of CTCF ZFs4-8-Hs5-1a complex
分子名称: DNA (5'-D(*AP*CP*TP*TP*TP*AP*AP*CP*CP*AP*GP*CP*AP*GP*AP*GP*GP*GP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*CP*CP*CP*TP*CP*TP*GP*CP*TP*GP*GP*TP*TP*AP*AP*AP*G)-3'), Transcriptional repressor CTCF, ...
著者Yin, M, Wang, J, Wang, M, Li, X.
登録日2017-09-17
公開日2017-11-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites
Cell Res., 27, 2017
5YQX
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BU of 5yqx by Molmil
Crystal Structure Analysis of the BRD4
分子名称: (2R)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
著者Xue, X, Zhang, Y, Wang, C, Song, M.
登録日2017-11-08
公開日2018-11-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer.
Eur.J.Med.Chem., 152, 2018
5YEL
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BU of 5yel by Molmil
Crystal structure of CTCF ZFs6-11-gb7CSE
分子名称: DNA (26-MER), Transcriptional repressor CTCF, ZINC ION
著者Yin, M, Wang, J, Wang, M, Li, X, Wang, Y.
登録日2017-09-18
公開日2017-11-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites
Cell Res., 27, 2017
5UE8
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BU of 5ue8 by Molmil
The crystal structure of Munc13-1 C1C2BMUN domain
分子名称: CHLORIDE ION, Protein unc-13 homolog A, ZINC ION
著者Tomchick, D.R, Rizo, J, Xu, J.
登録日2016-12-29
公開日2017-02-15
最終更新日2018-03-28
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN.
Elife, 6, 2017
6D2M
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BU of 6d2m by Molmil
Beta Carbonic anhydrase in complex with thiocyanate
分子名称: Carbonic anhydrase, IMIDAZOLE, ZINC ION
著者Murray, A, Aggarwal, M, Pinard, M, McKenna, R.
登録日2018-04-13
公開日2018-09-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
4ZQN
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BU of 4zqn by Molmil
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor P41
分子名称: 2-chloro-N,N-dimethyl-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]benzamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase
著者Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-05-10
公開日2015-06-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds.
Plos One, 10, 2015
6D2J
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BU of 6d2j by Molmil
Beta Carbonic anhydrase in complex with thiocyanate
分子名称: Carbonic anhydrase, POTASSIUM ION, THIOCYANATE ION, ...
著者Murray, A, Aggarwal, M, Pinard, M, McKenna, R.
登録日2018-04-13
公開日2018-09-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
5KUC
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BU of 5kuc by Molmil
Crystal structure of trypsin activated Cry6Aa
分子名称: Pesticidal crystal protein Cry6Aa
著者Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Hey, T, Chikwana, V.M, Narva, K.E.
登録日2016-07-13
公開日2016-08-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins.
Bmc Biol., 14, 2016
6D2O
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BU of 6d2o by Molmil
Beta Carbonic anhydrase in complex with 4-methylimidazole
分子名称: 4-METHYLIMIDAZOLE, Carbonic anhydrase, ZINC ION
著者Murray, A, Aggarwal, M, Pinard, M, McKenna, R.
登録日2018-04-13
公開日2018-09-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa.
ChemMedChem, 13, 2018
4ZQM
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BU of 4zqm by Molmil
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with XMP and NAD
分子名称: Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, XANTHOSINE-5'-MONOPHOSPHATE
著者Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-05-10
公開日2015-06-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds.
Plos One, 10, 2015
4ZNN
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BU of 4znn by Molmil
MicroED structure of the segment, GVVHGVTTVA, from the A53T familial mutant of Parkinson's disease protein, alpha-synuclein residues 47-56
分子名称: Alpha-synuclein
著者Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S.
登録日2015-05-05
公開日2015-09-09
最終更新日2024-03-06
実験手法ELECTRON CRYSTALLOGRAPHY (1.41 Å)
主引用文献Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
4ZQP
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BU of 4zqp by Molmil
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor MAD1
分子名称: 5'-O-({1-[(2E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1H-1,2,3-triazol-4-yl}methyl)adenosine, GLYCEROL, INOSINIC ACID, ...
著者Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-05-10
公開日2015-06-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds.
Plos One, 10, 2015
4ZQR
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BU of 4zqr by Molmil
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis
分子名称: GLYCEROL, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, PHOSPHATE ION, ...
著者Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-05-11
公開日2015-06-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.692 Å)
主引用文献Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds.
Plos One, 10, 2015
7QYC
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BU of 7qyc by Molmil
As isolated MSOX movie series dataset 20 (8 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain)
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
著者Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S.
登録日2022-01-27
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
5KUD
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BU of 5kud by Molmil
Crystal structure of full length Cry6Aa
分子名称: Pesticidal crystal protein Cry6Aa
著者Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Chikwana, V.M, Hey, T, Narva, K.
登録日2016-07-13
公開日2016-08-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins.
Bmc Biol., 14, 2016
7QXK
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BU of 7qxk by Molmil
As isolated MSOX movie series dataset 1 (0.4 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain)
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ...
著者Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S.
登録日2022-01-26
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
8T7Q
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BU of 8t7q by Molmil
Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors
分子名称: 1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Tang, Y, Nguyen, V, Wilbur, J.D.
登録日2023-06-21
公開日2023-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors.
J.Med.Chem., 66, 2023

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