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6ZWW
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BU of 6zww by Molmil
Crystal structure of E. coli RNA helicase HrpA in complex with RNA
分子名称: ATP-dependent RNA helicase HrpA, CALCIUM ION, ssRNA
著者Grass, L.M, Wollenhaupt, J, Barthel, T, Loll, B, Wahl, M.C.
登録日2020-07-29
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Large-scale ratcheting in a bacterial DEAH/RHA-type RNA helicase that modulates antibiotics susceptibility.
Proc.Natl.Acad.Sci.USA, 118, 2021
6X90
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BU of 6x90 by Molmil
Structure of the guanine nucleotide exchange factor Sec12 bound to the small GTPase Sar1
分子名称: Guanine nucleotide-exchange factor SEC12, POTASSIUM ION, Small COPII coat GTPase SAR1
著者Joiner, A.M.N, Fromme, J.C.
登録日2020-06-02
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural basis for the initiation of COPII vesicle biogenesis.
Structure, 29, 2021
2THF
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BU of 2thf by Molmil
STRUCTURE OF HUMAN ALPHA-THROMBIN Y225F MUTANT BOUND TO D-PHE-PRO-ARG-CHLOROMETHYLKETONE
分子名称: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, THROMBIN HEAVY CHAIN, ...
著者Caccia, S, Futterer, K, Di Cera, E, Waksman, G.
登録日1999-01-26
公開日1999-03-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Unexpected crucial role of residue 225 in serine proteases.
Proc.Natl.Acad.Sci.USA, 96, 1999
3VKH
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BU of 3vkh by Molmil
X-ray structure of a functional full-length dynein motor domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, Dynein heavy chain, cytoplasmic
著者Kon, T, Oyama, T, Shimo-Kon, R, Suto, K, Kurisu, G.
登録日2011-11-16
公開日2012-03-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献The 2.8 A crystal structure of the dynein motor domain
Nature, 484, 2012
2MXY
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BU of 2mxy by Molmil
Solution structure of hnRNP C RRM in complex with 5'-AUUUUUC-3' RNA
分子名称: 5'-R(*AP*UP*UP*UP*UP*UP*C)-3', Heterogeneous nuclear ribonucleoproteins C1/C2
著者Cienikova, Z, Damberger, F.F, Hall, J, Allain, F.H.-T, Maris, C.
登録日2015-01-19
公開日2015-02-25
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural and mechanistic insights into poly(uridine) tract recognition by the hnRNP C RNA recognition motif.
J.Am.Chem.Soc., 136, 2014
2MZ1
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BU of 2mz1 by Molmil
Solution structure of hnRNP C RRM in complex with 5'-UUUUC-3' RNA
分子名称: 5'-R(*UP*UP*UP*UP*C)-3', Heterogeneous nuclear ribonucleoproteins C1/C2
著者Cienikova, Z, Damberger, F.F, Hall, J, Allain, F.H.-T, Maris, C.
登録日2015-02-05
公開日2015-04-08
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural and mechanistic insights into poly(uridine) tract recognition by the hnRNP C RNA recognition motif.
J.Am.Chem.Soc., 136, 2014
7PIE
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BU of 7pie by Molmil
Protein kinase A catalytic subunit in complex with PKI5-24 and EN068
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-5-[3-[(2R)-morpholin-2-yl]phenyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Glinca, S, Mueller, J.M, Ruf, M, Merkl, S.
登録日2021-08-19
公開日2022-09-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.427 Å)
主引用文献Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
7PIG
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BU of 7pig by Molmil
Protein kinase A catalytic subunit in complex with PKI5-24 and EN088
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-azanyl-2-chloranyl-3-[(Z)-piperidin-3-ylidenemethyl]benzenecarbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Glinca, S, Mueller, J.M, Ruf, M, Merkl, S.
登録日2021-08-19
公開日2022-09-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.553 Å)
主引用文献Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
7PIF
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BU of 7pif by Molmil
Protein kinase A catalytic subunit in complex with PKI5-24 and EN086
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[3-[4-(aminomethyl)oxan-4-yl]phenyl]-2-azanyl-benzenecarbonitrile, CHLORIDE ION, ...
著者Glinca, S, Mueller, J.M, Ruf, M, Merkl, S.
登録日2021-08-19
公開日2022-09-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.395 Å)
主引用文献Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
7PIH
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BU of 7pih by Molmil
Protein kinase A catalytic subunit in complex with PKI5-24 and EN093
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-[3-[[(3~{R})-3-azanylpyrrolidin-1-yl]methyl]phenyl]-4~{H}-isoquinolin-1-one, CHLORIDE ION, ...
著者Glinca, S, Mueller, J.M, Ruf, M, Merkl, S.
登録日2021-08-19
公開日2022-09-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.374 Å)
主引用文献Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
7PNS
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BU of 7pns by Molmil
Protein kinase A catalytic subunit in complex with PKI5-24 and EN081
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-6-[5-[(dimethylamino)methyl]-2-fluoranyl-phenyl]-1H-indole-3-carbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Glinca, S, Mueller, J.M, Ruf, M, Merkl, S.
登録日2021-09-07
公開日2022-09-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.855 Å)
主引用文献Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
2N19
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BU of 2n19 by Molmil
STIL binding to the Polo-box domain 3 of PLK4 regulates centriole duplication
分子名称: Serine/threonine-protein kinase PLK4
著者Boehm, R, Arquint, C, Gabryjonczyk, A, Imseng, S, Sauer, E, Hiller, S, Nigg, E, Maier, T.
登録日2015-03-24
公開日2015-08-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献STIL binding to Polo-box 3 of PLK4 regulates centriole duplication.
Elife, 4, 2015
1UH1
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BU of 1uh1 by Molmil
Crystal structure of jacalin- GalNAc-beta(1-3)-Gal-alpha-O-Me complex
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-methyl alpha-D-galactopyranoside, Agglutinin alpha chain, Agglutinin beta-3 chain, ...
著者Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M.
登録日2003-06-23
公開日2003-09-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study
J.MOL.BIOL., 332, 2003
1UGW
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BU of 1ugw by Molmil
Crystal structure of jacalin- Gal complex
分子名称: Agglutinin alpha chain, Agglutinin alpha-chain, Agglutinin beta-3 chain, ...
著者Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M.
登録日2003-06-22
公開日2003-09-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study
J.MOL.BIOL., 332, 2003
7Q5S
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BU of 7q5s by Molmil
Protein community member fatty acid synthase complex from C. thermophilum
分子名称: 3-hydroxyacyl-[acyl-carrier-protein] dehydratase, 3-oxoacyl-[acyl-carrier-protein] reductase
著者Chojnowski, G, Skalidis, I, Kyrilis, F.L, Tueting, C, Hamdi, F, Kastritis, P.L.
登録日2021-11-04
公開日2022-02-02
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (4.47 Å)
主引用文献Cryo-EM and artificial intelligence visualize endogenous protein community members.
Structure, 30, 2022
1U9Q
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BU of 1u9q by Molmil
Crystal structure of cruzain bound to an alpha-ketoester
分子名称: [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER, cruzipain
著者Lange, M, Weston, S.G, Cheng, H, Culliane, M, Fiorey, M.M, Grisostomi, C, Hardy, L.W, Hartstough, D.S, Pallai, P.V, Tilton, R.F, Baldino, C.M, Brinen, L.S, Engel, J.C, Choe, Y, Price, M.S, Craik, C.S.
登録日2004-08-10
公開日2005-03-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of alpha-keto-based inhibitors of cruzain, a cysteine protease implicated in Chagas disease
Bioorg.Med.Chem., 13, 2005
7QGL
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BU of 7qgl by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the open state
分子名称: 5'-nucleotidase, CALCIUM ION, PENTAETHYLENE GLYCOL, ...
著者Strater, N.
登録日2021-12-08
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7QGO
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BU of 7qgo by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4602 (a 3-methyl-CMPCP derivative, compound 21 in paper) in the closed state (crystal form III)
分子名称: 5'-nucleotidase, ZINC ION, [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-methoxycarbonylphenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
著者Strater, N.
登録日2021-12-09
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
8FBO
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BU of 8fbo by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
分子名称: KWOCA_102
著者Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
登録日2022-11-29
公開日2023-03-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
7QGA
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BU of 7qga by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the open state
分子名称: 5'-nucleotidase, CALCIUM ION, TETRAETHYLENE GLYCOL, ...
著者Strater, N.
登録日2021-12-07
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
1UH0
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BU of 1uh0 by Molmil
Crystal structure of jacalin- Me-alpha-GalNAc complex
分子名称: Agglutinin alpha chain, Agglutinin beta-3 chain, methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside
著者Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M.
登録日2003-06-23
公開日2003-09-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study
J.MOL.BIOL., 332, 2003
8FBN
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BU of 8fbn by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
分子名称: KWOCA_73
著者Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
登録日2022-11-29
公開日2023-03-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBJ
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BU of 8fbj by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
分子名称: KWOCA_60
著者Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
登録日2022-11-29
公開日2023-03-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBI
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BU of 8fbi by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
分子名称: KWOCA_39
著者Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
登録日2022-11-29
公開日2023-03-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.61 Å)
主引用文献Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBK
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BU of 8fbk by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
分子名称: KWOCA_65
著者Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
登録日2022-11-29
公開日2023-03-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023

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