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4EDV
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BU of 4edv by Molmil
The structure of the S. aureus DnaG RNA Polymerase Domain bound to pppGpp and Manganese
分子名称: BENZAMIDINE, DNA primase, MANGANESE (II) ION, ...
著者Rymer, R.U, Solorio, F.A, Chu, C, Corn, J.E, Wang, J.D, Berger, J.M.
登録日2012-03-27
公開日2012-07-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Binding Mechanism of Metal-NTP Substrates and Stringent-Response Alarmones to Bacterial DnaG-Type Primases.
Structure, 20, 2012
4EE1
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BU of 4ee1 by Molmil
The structure of the S. aureus DnaG RNA Polymerase Domain bound to CTP and Manganese
分子名称: BENZAMIDINE, CYTIDINE-5'-TRIPHOSPHATE, DNA primase, ...
著者Rymer, R.U, Solorio, F.A, Chu, C, Corn, J.E, Wang, J.D, Berger, J.M.
登録日2012-03-28
公開日2012-07-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Binding Mechanism of Metal-NTP Substrates and Stringent-Response Alarmones to Bacterial DnaG-Type Primases.
Structure, 20, 2012
4EDK
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BU of 4edk by Molmil
The structure of the S. aureus DnaG RNA Polymerase Domain bound to GTP and Manganese
分子名称: BENZAMIDINE, DNA primase, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Rymer, R.U, Solorio, F.A, Chu, C, Corn, J.E, Wang, J.D, Berger, J.M.
登録日2012-03-27
公開日2012-07-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Binding Mechanism of Metal-NTP Substrates and Stringent-Response Alarmones to Bacterial DnaG-Type Primases.
Structure, 20, 2012
4RD2
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BU of 4rd2 by Molmil
Structure of aIF2-gamma H97A variant from Sulfolobus solfataricus bound to GDPNP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E.
登録日2014-09-18
公開日2015-05-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.585 Å)
主引用文献Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
4RD4
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BU of 4rd4 by Molmil
Structure of aIF2 gamma from sulfolobus solfataricus bound to gdpnp
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E.
登録日2014-09-18
公開日2015-05-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
4RCY
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BU of 4rcy by Molmil
Structure of aIF2-gamma D19A variant from Sulfolobus solfataricus bound to GTP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E.
登録日2014-09-18
公開日2015-05-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
4RD0
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BU of 4rd0 by Molmil
Structure of aIF2-gamma D19A variant from Sulfolobus solfataricus bound to GDP
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E.
登録日2014-09-18
公開日2015-05-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.713 Å)
主引用文献Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
4V0G
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BU of 4v0g by Molmil
JAK3 in complex with a covalent EGFR inhibitor
分子名称: N-[3-(2-{3-amino-6-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyrazin-2-yl}-1H-benzimidazol-1-yl)phenyl]propanamide, TYROSINE-PROTEIN KINASE JAK3
著者Debreczeni, J.E, Hennessy, E.J, Chuaquini, C, Ashton, S, Coclough, N, Cross, D.A.E, Eberlein, C, Gingipalli, L, Klinowska, T.C.M, Orme, J.P, Sha, L, Wu, X.
登録日2014-09-16
公開日2016-01-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Utilisation of Structure Based Design to Identify Novel, Irreversible Inhibitors of the Epidermal Growth Factor Receptor (Egfr) Harboring the Gatekeeper T790M Mutation
To be Published
4LI5
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BU of 4li5 by Molmil
EGFR-K IN COMPLEX WITH N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxy-phenyl] Prop-2-enamide
分子名称: Epidermal growth factor receptor, N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide, SODIUM ION
著者Debreczeni, J.E, Seiffert, G.B, Kiefersauer, R, Augustin, M, Nagel, S, Ward, R, Anderton, M, Ashton, S, Bethel, P, Box, M, Butterworth, S, Colclough, N, Chroley, C, Chuaqui, C, Cross, D, Eberlein, C, Finlay, R, Hill, G, Grist, M, Klinowska, T, Lane, C, Martin, S, Orme, J, Smith, P, Wang, F, Waring, M.
登録日2013-07-02
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structure- and Reactivity-Based Development of Covalent Inhibitors of the Activating and Gatekeeper Mutant Forms of the Epidermal Growth Factor Receptor (EGFR).
J.Med.Chem., 56, 2013
8BRW
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BU of 8brw by Molmil
Escherichia coli methionyl-tRNA synthetase mutant L13C,I297C
分子名称: Methionine--tRNA ligase, ZINC ION
著者Schmitt, E, Mechulam, Y, Nigro, G, Opuu, V, Lazennec-Schurdevin, C, Simonson, T.
登録日2022-11-24
公開日2023-08-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments.
Protein Sci., 32, 2023
8BRX
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BU of 8brx by Molmil
Escherichia coli methionyl-tRNA synthetase mutant L13C,I297C complexed with beta-3-methionine
分子名称: (3R)-3-amino-5-(methylsulfanyl)pentanoic acid, CITRIC ACID, Methionine--tRNA ligase, ...
著者Schmitt, E, Mechulam, Y, Nigro, G, Opuu, V, Lazennec-Schurdevin, C, Simonson, T.
登録日2022-11-24
公開日2023-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments.
Protein Sci., 32, 2023
8BRV
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BU of 8brv by Molmil
Escherichia coli methionyl-tRNA synthetase mutant L13M,I297C complexed with beta3-methionine.
分子名称: (3R)-3-amino-5-(methylsulfanyl)pentanoic acid, CITRIC ACID, Methionine--tRNA ligase, ...
著者Schmitt, E, Mechulam, Y, Nigro, G, Opuu, V, Lazennec-Schurdevin, C, Simonson, T.
登録日2022-11-24
公開日2023-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments.
Protein Sci., 32, 2023
8BRU
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BU of 8bru by Molmil
Escherichia coli methionyl-tRNA synthetase mutant L13M,I297C
分子名称: CITRIC ACID, Methionine--tRNA ligase, ZINC ION
著者Schmitt, E, Mechulam, Y, Nigro, G, Opuu, V, Lazennec-Schurdevin, C, Simonson, T.
登録日2022-11-24
公開日2023-08-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments.
Protein Sci., 32, 2023
4RCZ
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BU of 4rcz by Molmil
Structure of aIF2-gamma D19A variant from Sulfolobus solfataricus bound to GDPNP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E.
登録日2014-09-18
公開日2015-05-27
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.429 Å)
主引用文献Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
4RD6
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BU of 4rd6 by Molmil
Structure of aIF2-gamma from Sulfolobus solfataricus bound to GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Translation initiation factor 2 subunit gamma
著者Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E.
登録日2014-09-18
公開日2015-07-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.944 Å)
主引用文献Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
4RD1
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BU of 4rd1 by Molmil
Structure of aIF2-gamma H97A variant from Sulfolobus solfataricus bound to GTP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E.
登録日2014-09-18
公開日2015-05-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
4RD3
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BU of 4rd3 by Molmil
Structure of aIF2-gamma H97A variant from Sulfolobus solfataricus bound to GDP and Pi
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Dubiez, E, Aleksandrov, A, Lazennec-Schurdevin, C, Mechulam, Y, Schmitt, E.
登録日2014-09-18
公開日2015-05-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2.
Nucleic Acids Res., 43, 2015
7OVR
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BU of 7ovr by Molmil
Mature HIV-1 matrix structure
分子名称: HIV-1 matrix, MYRISTIC ACID, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
著者Qu, K, Ke, Z.L, Zila, V, Anders-Oesswein, M, Glass, B, Muecksch, F, Mueller, R, Schultz, C, Mueller, B, Kraeusslich, H.G, Briggs, J.A.G.
登録日2021-06-15
公開日2021-08-18
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Maturation of the matrix and viral membrane of HIV-1.
Science, 373, 2021
7OVQ
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BU of 7ovq by Molmil
Immature HIV-1 matrix structure
分子名称: Gag polyprotein, MYRISTIC ACID
著者Qu, K, Ke, Z.L, Zila, V, Anders-Oesswein, M, Glass, B, Muecksch, F, Mueller, R, Schultz, C, Mueller, B, Kraeusslich, H.G, Briggs, J.A.G.
登録日2021-06-15
公開日2021-08-18
実験手法ELECTRON MICROSCOPY (7.2 Å)
主引用文献Maturation of the matrix and viral membrane of HIV-1.
Science, 373, 2021
1Q51
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Crystal Structure of Mycobacterium tuberculosis MenB in Complex with Acetoacetyl-Coenzyme A, a Key Enzyme in Vitamin K2 Biosynthesis
分子名称: ACETOACETYL-COENZYME A, menB
著者Truglio, J.J, Theis, K, Feng, Y, Gajda, R, Machutta, C, Tonge, P.J, Kisker, C, TB Structural Genomics Consortium (TBSGC)
登録日2003-08-05
公開日2004-01-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis MenB, a key enzyme in vitamin K2 biosynthesis.
J.Biol.Chem., 278, 2003
1Q52
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Crystal Structure of Mycobacterium tuberculosis MenB, a Key Enzyme in Vitamin K2 Biosynthesis
分子名称: menB
著者Truglio, J.J, Theis, K, Feng, Y, Gajda, R, Machutta, C, Tonge, P.J, Kisker, C, TB Structural Genomics Consortium (TBSGC)
登録日2003-08-05
公開日2004-01-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis MenB, a key enzyme in vitamin K2 biosynthesis.
J.Biol.Chem., 278, 2003
2WOQ
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BU of 2woq by Molmil
Porphobilinogen Synthase (HemB) in Complex with 5-acetamido-4- oxohexanoic acid (Alaremycin 2)
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ALAREMYCIN 2, ...
著者Heinemann, I.U, Schulz, C, Schubert, W.-D, Heinz, D.W, Wang, Y.-G, Kobayashi, Y, Awa, Y, Wachi, M, Jahn, D, Jahn, M.
登録日2009-07-27
公開日2009-10-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of the heme biosynthetic Pseudomonas aeruginosa porphobilinogen synthase in complex with the antibiotic alaremycin.
Antimicrob. Agents Chemother., 54, 2010
1O7A
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BU of 1o7a by Molmil
Human beta-Hexosaminidase B
分子名称: 1,2-ETHANEDIOL, 2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Maier, T, Strater, N, Schuette, C, Klingenstein, R, Sandhoff, K, Saenger, W.
登録日2002-10-29
公開日2003-10-23
最終更新日2020-11-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The X-Ray Crystal Structure of Human Beta-Hexosaminidase B Provides New Insights Into Sandhoff Disease
J.Mol.Biol., 328, 2003
1T4E
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BU of 1t4e by Molmil
Structure of Human MDM2 in complex with a Benzodiazepine Inhibitor
分子名称: (4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID, Ubiquitin-protein ligase E3 Mdm2
著者Grasberger, B.L, Schubert, C, Koblish, H.K, Carver, T.E, Franks, C.F, Zhao, S.Y, Lu, T, LaFrance, L.V, Parks, D.J.
登録日2004-04-29
公開日2005-02-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery and cocrystal structure of benzodiazepinedione HDM2 antagonists that activate p53 in cells
J.Med.Chem., 48, 2005
2OAZ
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Human Methionine Aminopeptidase-2 Complexed with SB-587094
分子名称: COBALT (II) ION, N-(2-ISOPROPYLPHENYL)-3-[(2-THIENYLMETHYL)THIO]-1H-1,2,4-TRIAZOL-5-AMINE, human Methionine Amino Peptidase 2
著者Marino Jr, J.P, Fisher, P.W, Hofmann, G.A, Kirkpatrick, R, Janson, C.A, Johnson, R.K, Ma, C, Mattern, M, Meek, T.D, Ryan, D, Schulz, C, Smith, W.W, Tew, D.G, Tomazek Jr, T.A, Veber, D.F, Xiong, W.C, Yamamoto, Y, Yamashita, K, Yang, G, Thompson, S.K.
登録日2006-12-18
公開日2007-06-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Highly potent inhibitors of methionine aminopeptidase-2 based on a 1,2,4-triazole pharmacophore.
J.Med.Chem., 50, 2007

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