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6OET
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BU of 6oet by Molmil
Cryo-EM structure of mouse RAG1/2 STC complex
分子名称: CALCIUM ION, DNA (30-MER), DNA (39-MER), ...
著者Chen, X, Cui, Y, Zhou, Z.H, Yang, W, Gellert, M.
登録日2019-03-27
公開日2020-01-22
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献How mouse RAG recombinase avoids DNA transposition.
Nat.Struct.Mol.Biol., 27, 2020
6OEM
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BU of 6oem by Molmil
Cryo-EM structure of mouse RAG1/2 PRC complex (DNA0)
分子名称: DNA (46-MER), DNA (57-MER), High mobility group protein B1, ...
著者Chen, X, Cui, Y, Zhou, Z.H, Yang, W, Gellert, M.
登録日2019-03-27
公開日2020-01-29
最終更新日2020-02-26
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cutting antiparallel DNA strands in a single active site.
Nat.Struct.Mol.Biol., 27, 2020
4M9Z
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BU of 4m9z by Molmil
Crystal structure of CED-4 bound CED-3 fragment
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CED-3 fragment, Cell death protein 4, ...
著者Huang, W.J, Jinag, T.Y, Choi, W.Y, Wang, J.W, Shi, Y.G.
登録日2013-08-15
公開日2013-10-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.405 Å)
主引用文献Mechanistic insights into CED-4-mediated activation of CED-3.
Genes Dev., 27, 2013
4KZV
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BU of 4kzv by Molmil
Structure of the carbohydrate-recognition domain of the C-type lectin mincle bound to trehalose
分子名称: C-type lectin mincle, CALCIUM ION, SODIUM ION, ...
著者Feinberg, H, Jegouzo, S.A.F, Rowntree, T.J.W, Guan, Y, Brash, M.A, Taylor, M.E, Weis, W.I, Drickamer, K.
登録日2013-05-30
公開日2013-08-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Mechanism for Recognition of an Unusual Mycobacterial Glycolipid by the Macrophage Receptor Mincle.
J.Biol.Chem., 288, 2013
6OER
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BU of 6oer by Molmil
Cryo-EM structure of mouse RAG1/2 NFC complex (DNA2)
分子名称: CALCIUM ION, DNA (46-MER), DNA (57-MER), ...
著者Chen, X, Cui, Y, Zhou, Z.H, Yang, W, Gellert, M.
登録日2019-03-27
公開日2020-01-29
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Cutting antiparallel DNA strands in a single active site.
Nat.Struct.Mol.Biol., 27, 2020
6OEN
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BU of 6oen by Molmil
Cryo-EM structure of mouse RAG1/2 PRC complex (DNA1)
分子名称: CALCIUM ION, DNA (46-MER), DNA (57-MER), ...
著者Chen, X, Cui, Y, Zhou, Z.H, Yang, W, Gellert, M.
登録日2019-03-27
公開日2020-01-29
最終更新日2020-02-26
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cutting antiparallel DNA strands in a single active site.
Nat.Struct.Mol.Biol., 27, 2020
6OEP
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BU of 6oep by Molmil
Cryo-EM structure of mouse RAG1/2 12RSS-NFC/23RSS-PRC complex (DNA1)
分子名称: CALCIUM ION, DNA (46-MER), DNA (57-MER), ...
著者Chen, X, Cui, Y, Zhou, Z.H, Yang, W, Gellert, M.
登録日2019-03-27
公開日2020-01-29
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cutting antiparallel DNA strands in a single active site.
Nat.Struct.Mol.Biol., 27, 2020
6OES
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BU of 6oes by Molmil
Cryo-EM structure of mouse RAG1/2 STC complex (without NBD domain)
分子名称: CALCIUM ION, DNA (34-MER), DNA (35-MER), ...
著者Chen, X, Cui, Y, Zhou, Z.H, Yang, W, Gellert, M.
登録日2019-03-27
公開日2020-01-22
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献How mouse RAG recombinase avoids DNA transposition.
Nat.Struct.Mol.Biol., 27, 2020
6OAO
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BU of 6oao by Molmil
Structure of DBP in complex with human neutralizing antibody 092096
分子名称: Antibody 092096 single chain variable fragment, Duffy binding surface protein region II, SULFATE ION
著者Urusova, D, Tolia, N.H.
登録日2019-03-18
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.497 Å)
主引用文献Structural basis for neutralization of Plasmodium vivax by naturally acquired human antibodies that target DBP.
Nat Microbiol, 4, 2019
4NIY
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BU of 4niy by Molmil
Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) complexed to YRH-ecotin (M84Y/M85R/A86H ecotin)
分子名称: CALCIUM ION, Cationic trypsin, Ecotin, ...
著者Schoepfel, M, Parthier, C, Stubbs, M.T.
登録日2013-11-08
公開日2014-02-19
最終更新日2014-03-19
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献N-terminal protein modification by substrate-activated reverse proteolysis.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NXI
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BU of 4nxi by Molmil
Rv2466c Mediates the Activation of TP053 To Kill Replicating and Non-replicating Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein
著者Albesa-Jove, D, Urresti, S, Comino, N, Guerin, M.E.
登録日2013-12-09
公開日2014-10-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Rv2466c mediates the activation of TP053 to kill replicating and non-replicating Mycobacterium tuberculosis.
Acs Chem.Biol., 9, 2014
4MDS
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BU of 4mds by Molmil
Discovery of N-(benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamido)phenyl) carboxamides as severe acute respiratory syndrome coronavirus (SARS-CoV) 3CLpro inhibitors: identification of ML300 and non-covalent nanomolar inhibitors with an induced-fit binding
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[(1R)-2-[(2-methylbutan-2-yl)amino]-1-(1-methyl-1H-pyrrol-2-yl)-2-oxoethyl]acetamide
著者Mesecar, A.D, Grum-Tokars, V.
登録日2013-08-23
公開日2013-10-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献Discovery of N-(benzo[1,2,3]triazol-1-yl)-N-(benzyl)acetamido)phenyl) carboxamides as severe acute respiratory syndrome coronavirus (SARS-CoV) 3CLpro inhibitors: Identification of ML300 and noncovalent nanomolar inhibitors with an induced-fit binding.
Bioorg.Med.Chem.Lett., 23, 2013
4O03
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BU of 4o03 by Molmil
Crystal structure of Ca2+ bound prothrombin deletion mutant residues 146-167
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Prothrombin
著者Pozzi, N, Chen, Z, Shropshire, D.B, Pelc, L.A, Di Cera, E.
登録日2013-12-13
公開日2014-05-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.38 Å)
主引用文献The linker connecting the two kringles plays a key role in prothrombin activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NZQ
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BU of 4nzq by Molmil
Crystal structure of Ca2+-free prothrombin deletion mutant residues 146-167
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin
著者Pozzi, N, Chen, Z, Shropshire, D.B, Pelc, L.A, Di Cera, E.
登録日2013-12-12
公開日2014-05-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.807 Å)
主引用文献The linker connecting the two kringles plays a key role in prothrombin activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
8B3A
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BU of 8b3a by Molmil
catalytic amyloid fibril formed by Ac-LHLHLRL-amide
分子名称: ACE-LEU-HIS-LEU-HIS-LEU-ARG-LEU-NH2
著者Heerde, T, Schmidt, M, Faendrich, M.
登録日2022-09-16
公開日2023-04-05
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structure of a catalytic amyloid fibril.
Sci Rep, 13, 2023
8B8H
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BU of 8b8h by Molmil
Structure of DCS-resistant variant D322N of alanine racemase from M. tuberculosis in complex with DCS
分子名称: (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, Alanine racemase, ...
著者de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S.
登録日2022-10-04
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis .
Acs Bio Med Chem Au, 3, 2023
7MBO
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BU of 7mbo by Molmil
FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian
著者Sheriff, S.
登録日2021-04-01
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (0.924 Å)
主引用文献Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.
J.Med.Chem., 65, 2022
3IBF
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BU of 3ibf by Molmil
Crystal structure of unliganded caspase-7
分子名称: Caspase-7
著者Agniswamy, J.
登録日2009-07-15
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformational similarity in the activation of caspase-3 and -7 revealed by the unliganded and inhibited structures of caspase-7.
Apoptosis, 14, 2009
3IND
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BU of 3ind by Molmil
Bace1 with the aminohydantoin Compound 29
分子名称: (5S)-2-amino-3-methyl-5-phenyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Olland, A.M, Chopra, R.
登録日2009-08-12
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.246 Å)
主引用文献Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
8BGR
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BU of 8bgr by Molmil
FAD-independent Methylene-Tetrahydrofolate Reductase from Mycobacterium hassiacum
分子名称: Methylenetetrahydrofolate reductase
著者Gehl, M, Ermler, U, Shima, S.
登録日2022-10-28
公開日2023-05-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of FAD-independent methylene-tetrahydrofolate reductase from Mycobacterium hassiacum.
Proteins, 91, 2023
8B3X
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BU of 8b3x by Molmil
High resolution crystal structure of dimeric SUDV VP40
分子名称: Matrix protein VP40
著者Werner, A.-D, Norris, M, Saphire, E.O, Becker, S.
登録日2022-09-17
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.531 Å)
主引用文献The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications.
Structure, 31, 2023
3INE
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BU of 3ine by Molmil
Bace1 with the aminohydantoin Compound S-34
分子名称: (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
著者Olland, A.M, Chopra, R.
登録日2009-08-12
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.
J.Med.Chem., 53, 2010
7MT4
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BU of 7mt4 by Molmil
Crystal structure of tryptophan Synthase in complex with F9, NH4+, pH7.8 - alpha aminoacrylate form - E(A-A)
分子名称: 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, AMMONIUM ION, ...
著者Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J.
登録日2021-05-12
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate.
Proc.Natl.Acad.Sci.USA, 119, 2022
7MT5
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BU of 7mt5 by Molmil
Crystal structure of tryptophan synthase in complex with F9, Cs+, pH7.8 - alpha aminoacrylate form - E(A-A)
分子名称: 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, CESIUM ION, ...
著者Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J.
登録日2021-05-12
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate.
Proc.Natl.Acad.Sci.USA, 119, 2022
7MT6
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Crystal structure of tryptophan synthase in complex with F9, Cs+, benzimidazole, pH7.8 - alpha aminoacrylate form - E(A-A)(BZI)
分子名称: 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BENZIMIDAZOLE, ...
著者Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J.
登録日2021-05-12
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate.
Proc.Natl.Acad.Sci.USA, 119, 2022

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