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5Y3Q
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BU of 5y3q by Molmil
Crystal structure of SARS coronavirus papain-like protease conjugated with beta-mercaptoethanol
分子名称: BETA-MERCAPTOETHANOL, GLYCEROL, Replicase polyprotein 1a, ...
著者Lin, M.H, Chou, C.Y.
登録日2017-07-29
公開日2018-01-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Disulfiram can inhibit MERS and SARS coronavirus papain-like proteases via different modes
Antiviral Res., 150, 2017
6COB
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BU of 6cob by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,F179L,A209I
分子名称: Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL
著者Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
登録日2018-03-12
公開日2019-03-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献AtHNL enantioselectivity mutants
To be published
6COI
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BU of 6coi by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with CYANIDE, benzaldehyde, MANDELIC ACID NITRILE
分子名称: (2R)-hydroxy(phenyl)ethanenitrile, (S)-MANDELIC ACID NITRILE, Alpha-hydroxynitrile lyase, ...
著者Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
登録日2018-03-12
公開日2019-03-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.024 Å)
主引用文献AtHNL enantioselectivity mutants
To be published
7XJI
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BU of 7xji by Molmil
Solabegron-activated dog beta3 adrenergic receptor
分子名称: 3-[3-[2-[[(2~{S})-2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethylamino]phenyl]benzoic acid, Beta-3 adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Shihoya, W, Nureki, O.
登録日2022-04-18
公開日2022-05-04
最終更新日2022-06-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structures of the beta 3 adrenergic receptor bound to solabegron and isoproterenol.
Biochem.Biophys.Res.Commun., 611, 2022
6CYM
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BU of 6cym by Molmil
Reversible Covalent Direct Thrombin Inhibitors
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxybenzoic acid, Prothrombin, ...
著者Sivaraja, M, Williams, D.C.
登録日2018-04-06
公開日2018-05-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Reversible covalent direct thrombin inhibitors.
PLoS ONE, 13, 2018
6COG
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BU of 6cog by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with benzaldehyde
分子名称: Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL, ...
著者Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
登録日2018-03-12
公開日2019-03-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献AtHNL enantioselectivity mutants
To be published
4O33
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BU of 4o33 by Molmil
Crystal Structure of human PGK1 3PG and terazosin(TZN) ternary complex
分子名称: 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone
著者Li, X.L, Finci, L.I, Wang, J.H.
登録日2013-12-18
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Terazosin activates Pgk1 and Hsp90 to promote stress resistance.
Nat.Chem.Biol., 11, 2015
6COF
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BU of 6cof by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I
分子名称: Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL
著者Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
登録日2018-03-12
公開日2019-03-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献AtHNL enantioselectivity mutants
To be published
4LSJ
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BU of 4lsj by Molmil
Crystal Structure of the Glucocorticoid Receptor Ligand Binding Domain Bound to a Dibenzoxapine Sulfonamide
分子名称: D30 peptide, Glucocorticoid receptor, N-{3-[(1Z)-1-(10-methoxydibenzo[b,e]oxepin-11(6H)-ylidene)propyl]phenyl}methanesulfonamide
著者Carson, M, Luz, J.G, Clawson, D, Coghlan, M.
登録日2013-07-22
公開日2014-01-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Glucocorticoid receptor modulators informed by crystallography lead to a new rationale for receptor selectivity, function, and implications for structure-based design.
J.Med.Chem., 57, 2014
6COC
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BU of 6coc by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,F179L,A209I with benzaldehyde
分子名称: Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL, ...
著者Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
登録日2018-03-12
公開日2019-03-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献AtHNL enantioselectivity mutants
To be published
6CPS
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BU of 6cps by Molmil
Crystal structure of the bromodomain of human ATAD2 with a disulfide bridge
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ATPase family AAA domain-containing protein 2, SULFATE ION
著者Glass, K.C, Eckenroth, B.E, Carlson, S.
登録日2018-03-14
公開日2018-12-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Disulfide bridge formation influences ligand recognition by the ATAD2 bromodomain.
Proteins, 87, 2019
5YOW
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BU of 5yow by Molmil
The post-fusion structure of the Heartland virus Gc glycoprotein
分子名称: Glycoprotein polyprotein, alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Wu, Y, Gao, F, Qi, J.X, Chai, Y.
登録日2017-10-31
公開日2017-11-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Postfusion Structure of the Heartland Virus Gc Glycoprotein Supports Taxonomic Separation of the Bunyaviral Families Phenuiviridae and Hantaviridae.
J. Virol., 92, 2018
7WYI
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BU of 7wyi by Molmil
Native Photosystem I of Chlamydomonas reinhardtii
分子名称: CHLOROPHYLL A, CHLOROPHYLL A ISOMER, CHLOROPHYLL B, ...
著者Kurisu, G, Gerle, C, Mitsuoka, K, Kawamoto, A, Tanaka, H.
登録日2022-02-16
公開日2023-02-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Three structures of PSI-LHCI from Chlamydomonas reinhardtii suggest a resting state re-activated by ferredoxin.
Biochim Biophys Acta Bioenerg, 1864, 2023
7WZN
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BU of 7wzn by Molmil
PSI-LHCI from Chlamydomonas reinhardtii with bound ferredoxin
分子名称: CHLOROPHYLL A, CHLOROPHYLL A ISOMER, CHLOROPHYLL B, ...
著者Kurisu, G, Gerle, C, Mitsuoka, K, Kawamoto, A, Tanaka, H.
登録日2022-02-18
公開日2023-02-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Three structures of PSI-LHCI from Chlamydomonas reinhardtii suggest a resting state re-activated by ferredoxin.
Biochim Biophys Acta Bioenerg, 1864, 2023
6VND
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BU of 6vnd by Molmil
Quaternary Complex of human dihydroorotate dehydrogenase (DHODH) with flavin mononucleotide (FMN), orotic acid and AG-636
分子名称: 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
著者Padyana, A, Jin, L.
登録日2020-01-29
公開日2020-11-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Selective Vulnerability to Pyrimidine Starvation in Hematologic Malignancies Revealed by AG-636, a Novel Clinical-Stage Inhibitor of Dihydroorotate Dehydrogenase.
Mol.Cancer Ther., 19, 2020
6COD
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BU of 6cod by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo Y13C,Y121L,P126F,L128W,C131T,F179L,A209I with benzaldehyde
分子名称: Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL, ...
著者Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
登録日2018-03-12
公開日2019-03-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献AtHNL enantioselectivity mutants
To be published
4L6V
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BU of 4l6v by Molmil
Crystal structure of a virus like photosystem I from the cyanobacterium Synechocystis PCC 6803
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Mazor, Y, Nataf, D, Toporik, H, Nelson, N.
登録日2013-06-13
公開日2014-02-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Crystal structures of virus-like photosystem I complexes from the mesophilic cyanobacterium Synechocystis PCC 6803.
Elife, 3, 2014
6COE
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BU of 6coe by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo Y13C,Y121L,P126F,L128W,C131T,F179L,A209I with benzaldehyde, MANDELIC ACID NITRILE
分子名称: (2R)-hydroxy(phenyl)ethanenitrile, (S)-MANDELIC ACID NITRILE, Alpha-hydroxynitrile lyase, ...
著者Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
登録日2018-03-12
公開日2019-03-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.844 Å)
主引用文献AtHNL enantioselectivity mutants
To be published
6BZ5
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BU of 6bz5 by Molmil
Structure and mechanism of salicylate hydroxylase from Pseudomonas putida G7
分子名称: 1,2-ETHANEDIOL, GLYCEROL, IODIDE ION, ...
著者Nagem, R.A.P, Costa, D.M.A.
登録日2017-12-22
公開日2018-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Catalytic mechanism for the conversion of salicylate into catechol by the flavin-dependent monooxygenase salicylate hydroxylase.
Int.J.Biol.Macromol., 129, 2019
6WOJ
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BU of 6woj by Molmil
Structure of the SARS-CoV-2 macrodomain (NSP3) in complex with ADP-ribose
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Gao, F.P, Fehr, A.R.
登録日2020-04-24
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The SARS-CoV-2 Conserved Macrodomain Is a Mono-ADP-Ribosylhydrolase.
J.Virol., 95, 2021
6X4O
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BU of 6x4o by Molmil
Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (compound 21)
分子名称: (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A
著者Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D.
登録日2020-05-22
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
6CDK
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BU of 6cdk by Molmil
Characterization of the P1+ intermediate state of nitrogenase P-cluster
分子名称: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ...
著者Keable, S.M, Zadvornyy, O.A, Rasmussen, A.J, Danyal, K, Eilers, B.J, Prussia, G.A, LeVan, A.X, Seefeldt, L.C, Peters, J.W.
登録日2018-02-08
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural characterization of the P1+intermediate state of the P-cluster of nitrogenase.
J. Biol. Chem., 293, 2018
6W16
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BU of 6w16 by Molmil
Crystal structure of a human metapneumovirus monomeric fusion protein complexed with 458 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 458 Fab heavy chain, 458 Fab light chain, ...
著者Huang, J, Mousa, J.J.
登録日2020-03-03
公開日2020-06-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Antibody recognition of the Pneumovirus fusion protein trimer interface.
Plos Pathog., 16, 2020
6W18
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BU of 6w18 by Molmil
Structure of S. pombe Arp2/3 complex in inactive state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1, ...
著者Shaaban, M, Nolen, B.J, Chowdhury, S.
登録日2020-03-03
公開日2020-08-12
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-EM reveals the transition of Arp2/3 complex from inactive to nucleation-competent state.
Nat.Struct.Mol.Biol., 27, 2020
7WE8
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BU of 7we8 by Molmil
SARS-CoV-2 Omicron variant spike protein in complex with Fab XGv265
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 265, ...
著者Wang, X, Wang, L.
登録日2021-12-23
公開日2022-05-04
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants.
Nature, 603, 2022

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