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8B0T
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BU of 8b0t by Molmil
SARS-CoV-2 Main Protease adduct with Au(PEt3)Br
分子名称: 3C-like proteinase nsp5, GOLD ION
著者Massai, L, Grifagni, D, De Santis, A, Geri, A, Calderone, V, Cantini, F, Banci, L, Messori, L.
登録日2022-09-08
公開日2022-12-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Gold-Based Metal Drugs as Inhibitors of Coronavirus Proteins: The Inhibition of SARS-CoV-2 Main Protease by Auranofin and Its Analogs.
Biomolecules, 12, 2022
5LC6
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BU of 5lc6 by Molmil
Crystal structure of a single chain monellin mutant: Q28K/C41S/Y65R-MNEI
分子名称: Monellin chain B,Monellin chain A, SULFATE ION
著者Pica, A, Merlino, A.
登録日2016-06-19
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Sweeter and stronger: enhancing sweetness and stability of the single chain monellin MNEI through molecular design.
Sci Rep, 6, 2016
3J2N
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BU of 3j2n by Molmil
The X-ray structure of the gp15 hexamer and the model of the gp18 protein fitted into the cryo-EM reconstruction of the contracted T4 tail
分子名称: Tail connector protein Gp15, Tail sheath protein Gp18
著者Fokine, A, Zhang, Z, Kanamaru, S, Bowman, V.D, Aksyuk, A, Arisaka, F, Rao, V.B, Rossmann, M.G.
登録日2012-11-10
公開日2013-03-06
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (16 Å)
主引用文献The molecular architecture of the bacteriophage t4 neck.
J.Mol.Biol., 425, 2013
2YGI
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BU of 2ygi by Molmil
Methanobactin HM1
分子名称: COPPER (II) ION, METHANOBACTIN HM1
著者Ghazouani, A, Basle, A, Firbank, S.J, Gray, J, Dennison, C.
登録日2011-04-18
公開日2012-04-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Variations in Methanobactin Structure Influences Copper Utilization by Methane-Oxidizing Bacteria.
Proc.Natl.Acad.Sci.USA, 109, 2012
3MQZ
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BU of 3mqz by Molmil
Crystal Structure of Conserved Protein DUF1054 from Pink Subaerial Biofilm Microbial Leptospirillum sp. Group II UBA.
分子名称: CHLORIDE ION, GLYCEROL, uncharacterized Conserved Protein DUF1054
著者Kim, Y, Xu, X, Cui, H, Chin, S, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-04-28
公開日2010-06-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structure of Conserved Protein DUF1054 from Pink Subaerial Biofilm Microbial Leptospirillum sp. Group II UBA.
To be Published
5MBK
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BU of 5mbk by Molmil
Structure of a bacterial light-regulated adenylyl cylcase
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Beta subunit of photoactivated adenylyl cyclase, MAGNESIUM ION
著者Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I.
登録日2016-11-08
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
2YGJ
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BU of 2ygj by Molmil
Methanobactin MB4
分子名称: COPPER (II) ION, METHANOBACTIN MB4, SODIUM ION
著者Ghazouani, A, Basle, A, Firbank, S.J, Gray, J, Dennison, C.
登録日2011-04-18
公開日2012-04-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Variations in Methanobactin Structure Influences Copper Utilization by Methane-Oxidizing Bacteria.
Proc.Natl.Acad.Sci.USA, 109, 2012
7QVE
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BU of 7qve by Molmil
Spinach 20S proteasome
分子名称: Proteasome subunit alpha type, Proteasome subunit alpha type-3, Proteasome subunit beta, ...
著者Kandolf, S, Grishkovskaya, I, Meinhart, A, Haselbach, D.
登録日2022-01-21
公開日2022-05-25
最終更新日2022-06-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of the plant 26S proteasome.
Plant Commun., 3, 2022
7ZY6
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BU of 7zy6 by Molmil
Identification of M4205 a highly selective inhibitor of cKIT mutations for unresectable metastatic or recurrent GIST
分子名称: 5-imidazo[1,2-a]pyridin-3-yl-~{N}-[(1~{R})-1-(6-pyrrolidin-1-ylpyridin-3-yl)ethyl]pyridin-3-amine, HUMAN PROTO-ONCOGENE C-KIT
著者Graedler, U, Lammens, A.
登録日2022-05-24
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Identification of M4205─A Highly Selective Inhibitor of KIT Mutations for Treatment of Unresectable Metastatic or Recurrent Gastrointestinal Stromal Tumors.
J.Med.Chem., 66, 2023
7Q6K
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BU of 7q6k by Molmil
Crystal structure of the human GDAP1 CMT2 mutant-R120W
分子名称: Ganglioside-induced differentiation-associated protein 1
著者Sutinen, A, Kursula, P.
登録日2021-11-08
公開日2022-06-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献Structural insights into Charcot-Marie-Tooth disease-linked mutations in human GDAP1.
Febs Open Bio, 12, 2022
3R0I
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BU of 3r0i by Molmil
IspC in complex with an N-methyl-substituted hydroxamic acid
分子名称: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION, {(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid
著者Behrendt, C.T, Kunfermann, A, Illarionova, V, Matheeussen, A, Pein, M.K, Graewert, T, Bacher, A, Eisenreich, W, Illarionov, B, Fischer, M, Maes, L, Groll, M, Kurz, T.
登録日2011-03-08
公開日2011-09-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Reverse Fosmidomycin Derivatives against the Antimalarial Drug Target IspC (Dxr).
J.Med.Chem., 54, 2011
7QHS
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BU of 7qhs by Molmil
S. cerevisiae CMGE nucleating origin DNA melting
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, ...
著者Lewis, J.S, Sousa, J.S, Costa, A.
登録日2021-12-14
公開日2022-06-15
最終更新日2022-07-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Mechanism of replication origin melting nucleated by CMG helicase assembly.
Nature, 606, 2022
3KHF
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BU of 3khf by Molmil
The crystal structure of the PDZ domain of human Microtubule Associated Serine/Threonine Kinase 3 (MAST3)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Microtubule-associated serine/threonine-protein kinase 3
著者Roos, A, Elkins, J, Savitsky, P, Wang, J, Ugochukwu, E, Murray, J, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-10-30
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The crystal structure of the PDZ domain of human Microtubule Associated Serine/Threonine Kinase 3 (MAST3)
To be Published
7Q7Q
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BU of 7q7q by Molmil
LIPIDIC CUBIC PHASE SERIAL FEMTOSECOND CRYSTALLOGRAPHY STRUCTURE OF A PHOTOSYNTHETIC REACTION CENTRE
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ...
著者Baath, P, Banacore, A, Neutze, R.
登録日2021-11-09
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Lipidic cubic phase serial femtosecond crystallography structure of a photosynthetic reaction centre.
Acta Crystallogr D Struct Biol, 78, 2022
3M6J
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BU of 3m6j by Molmil
Crystal structure of unknown function protein from Leptospirillum rubarum
分子名称: CHLORIDE ION, uncharacterized protein
著者Chang, C, Xu, X, Cui, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-03-15
公開日2010-03-31
最終更新日2021-12-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of unknown function protein from Leptospirillum rubarum
To be Published
3KGA
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BU of 3kga by Molmil
Crystal structure of MAPKAP kinase 2 (MK2) complexed with a potent 3-aminopyrazole ATP site inhibitor
分子名称: 6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one, MAGNESIUM ION, MAP kinase-activated protein kinase 2
著者Kroemer, M, Velcicky, J, Izaac, A, Be, C, Huppertz, C, Pflieger, D, Schlapbach, A, Scheufler, C.
登録日2009-10-28
公開日2010-01-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy.
Bioorg.Med.Chem.Lett., 20, 2010
7Q7P
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BU of 7q7p by Molmil
LIPIDIC CUBIC PHASE SERIAL FEMTOSECOND CRYSTALLOGRAPHY STRUCTURE OF A PHOTOSYNTHETIC REACTION CENTRE
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ...
著者Baath, P, Banacore, A, Neutze, R.
登録日2021-11-09
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Lipidic cubic phase serial femtosecond crystallography structure of a photosynthetic reaction centre.
Acta Crystallogr D Struct Biol, 78, 2022
1SQU
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BU of 1squ by Molmil
Structural Genomics, Crystal structure of the CheX protein from Thermotoga maritima
分子名称: CheX protein
著者Zhang, R, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2004-03-19
公開日2004-05-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The crystal structure of the protein CheX from Thermotoga maritima
To be Published
8CKA
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BU of 8cka by Molmil
Deinococcus radidurans HPI S-layer
分子名称: Hexagonally packed intermediate-layer surface protein
著者von Kuegelgen, A, Yamashita, K, Murshudov, G, Bharat, T.
登録日2023-02-14
公開日2023-04-19
最終更新日2023-04-26
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献Interdigitated immunoglobulin arrays form the hyperstable surface layer of the extremophilic bacterium Deinococcus radiodurans.
Proc.Natl.Acad.Sci.USA, 120, 2023
6BY9
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BU of 6by9 by Molmil
Crystal structure of EHMT1
分子名称: Histone-lysine N-methyltransferase EHMT1, UNKNOWN ATOM OR ION
著者Dong, A, Wei, Y, Li, A, Tempel, W, Han, S, Sunnerhagen, M, Penn, L, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
登録日2017-12-20
公開日2018-01-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of EHMT1
to be published
3KHE
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BU of 3khe by Molmil
Crystal structure of the calcium-loaded calmodulin-like domain of the CDPK, 541.m00134 from toxoplasma gondii
分子名称: CALCIUM ION, Calmodulin-like domain protein kinase isoform 3, GLYCEROL, ...
著者Wernimont, A.K, Hutchinson, A, Artz, J.D, Mackenzie, F, Cossar, D, Kozieradzki, I, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Qiu, W, Amani, M, Structural Genomics Consortium (SGC)
登録日2009-10-30
公開日2010-01-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structures of parasitic CDPK domains point to a common mechanism of activation.
Proteins, 79, 2011
1G0V
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BU of 1g0v by Molmil
THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT, MVV
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEASE A INHIBITOR 3, PROTEINASE A, ...
著者Phylip, L.H, Lees, W, Brownsey, B.G, Bur, D, Dunn, B.M, Winther, J, Gustchina, A, Li, M, Copeland, T, Wlodawer, A, Kay, J.
登録日2000-10-09
公開日2001-04-21
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The potency and specificity of the interaction between the IA3 inhibitor and its target aspartic proteinase from Saccharomyces cerevisiae.
J.Biol.Chem., 276, 2001
5VLM
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BU of 5vlm by Molmil
Crystal structure of EilR in complex with crystal violet
分子名称: CRYSTAL VIOLET, Regulatory protein TetR
著者Pereira, J.H, Ruegg, T.L, Chen, J, Novichkov, P, DeGiovani, A, Tomaleri, G.P, Singer, S, Simmons, B, Thelen, M, Adams, P.D.
登録日2017-04-25
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.403 Å)
主引用文献Jungle Express is a versatile repressor system for tight transcriptional control.
Nat Commun, 9, 2018
5NCR
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OH1 from the Orf virus: a tyrosine phosphatase that displays distinct structural features and triple substrate specificity
分子名称: PHOSPHATE ION, SULFATE ION, tyrosine phosphatase
著者Segovia, D, Haouz, A, Berois, M, Villarino, A, Andre-Leroux, G.
登録日2017-03-06
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献OH1 from Orf Virus: A New Tyrosine Phosphatase that Displays Distinct Structural Features and Triple Substrate Specificity.
J. Mol. Biol., 429, 2017
3FL3
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BU of 3fl3 by Molmil
X-ray structure of the ligand free non covalent swapped form of the A19P/Q28L/K31C/S32C mutant of bovine pancreatic ribonuclease
分子名称: Ribonuclease pancreatic, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
著者Merlino, A, Russo Krauss, I, Perillo, M, Mattia, C.A, Ercole, C, Picone, D, Vergara, A, Sica, F.
登録日2008-12-18
公開日2009-03-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Toward an antitumor form of bovine pancreatic ribonuclease: The crystal structure of three noncovalent dimeric mutants
Biopolymers, 91, 2009

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