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3HNG
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BU of 3hng by Molmil
Crystal structure of VEGFR1 in complex with N-(4-Chlorophenyl)-2-((pyridin-4-ylmethyl)amino)benzamide
分子名称: CHLORIDE ION, N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide, Vascular endothelial growth factor receptor 1
著者Tresaugues, L, Roos, A, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Kragh-Nielsen, T, Kotzch, A, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Van der Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2009-05-31
公開日2009-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of VEGFR1 in complex with N-(4-Chlorophenyl)-2-((pyridin-4-ylmethyl)amino)benzamide
To be Published
8QC4
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BU of 8qc4 by Molmil
M. tuberculosis salicylate synthase MbtI in complex with 5-(3-carboxyphenyl)furan-2-carboxylic acid
分子名称: 5-(3-carboxyphenyl)furan-2-carboxylic acid, GLYCEROL, SULFATE ION, ...
著者Mori, M, Villa, S, Meneghetti, F, Bellinzoni, M.
登録日2023-08-25
公開日2023-11-15
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.578 Å)
主引用文献Structural Study of a New MbtI-Inhibitor Complex: Towards an Optimized Model for Structure-Based Drug Discovery.
Pharmaceuticals, 16, 2023
8AR7
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BU of 8ar7 by Molmil
Bovine glutamate dehydrogenase in ternary complex with the allosteric activators ADP and leucine
分子名称: ADENOSINE-5'-DIPHOSPHATE, Glutamate dehydrogenase (NAD(P)(+)), LEUCINE, ...
著者Aleshin, V.A, Bellinzoni, M.
登録日2022-08-15
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.448 Å)
主引用文献Structural Basis for the Binding of Allosteric Activators Leucine and ADP to Mammalian Glutamate Dehydrogenase.
Int J Mol Sci, 23, 2022
8AR8
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BU of 8ar8 by Molmil
Bovine glutamate dehydrogenase in complex with ADP at 2.4 A resolution
分子名称: ADENOSINE-5'-DIPHOSPHATE, Glutamate dehydrogenase (NAD(P)(+))
著者Aleshin, V.A, Bellinzoni, M.
登録日2022-08-15
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for the Binding of Allosteric Activators Leucine and ADP to Mammalian Glutamate Dehydrogenase.
Int J Mol Sci, 23, 2022
6TNE
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BU of 6tne by Molmil
Crystal structure of receiver domain from Hybrid Histidine Kinase CckA
分子名称: Histidine kinase
著者Dubey, B.N, Bruederlin, M, Schirmer, T.
登録日2019-12-06
公開日2020-12-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of receiver domain from cyclic-di-GMP controlled hybrid histidine kinase
to be published
8BT1
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BU of 8bt1 by Molmil
YdaT transcription regulator (CII functional analog)
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Prolic-Kalinsek, M, Loris, R.
登録日2022-11-27
公開日2023-02-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.39788437 Å)
主引用文献Structural basis of DNA binding by YdaT, a functional equivalent of the CII repressor in the cryptic prophage CP-933P from Escherichia coli O157:H7.
Acta Crystallogr D Struct Biol, 79, 2023
4ZZO
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BU of 4zzo by Molmil
Human ERK2 in complex with an irreversible inhibitor
分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 1, N-[2-[[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide, SULFATE ION
著者Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K.
登録日2015-04-10
公開日2015-05-27
最終更新日2015-08-26
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2.
J.Med.Chem., 58, 2015
8QN5
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BU of 8qn5 by Molmil
M. tuberculosis salicylate synthase MbtI in complex with methyl-AMT (new crystal form)
分子名称: 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, AMMONIUM ION, CITRATE ANION, ...
著者Mori, M, Villa, S, Meneghetti, M, Bellinzoni, M.
登録日2023-09-25
公開日2023-11-15
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.544 Å)
主引用文献Structural Study of a New MbtI-Inhibitor Complex: Towards an Optimized Model for Structure-Based Drug Discovery.
Pharmaceuticals, 16, 2023
7ZXK
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BU of 7zxk by Molmil
Human IL-27 in complex with neutralizing SRF388 FAb fragment
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-27 subunit alpha, Interleukin-27 subunit beta, ...
著者Bloch, Y, Skladanowska, K, Strand, J, Welin, M, Logan, D, Hill, J, Savvides, S.N.
登録日2022-05-21
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of activation and antagonism of receptor signaling mediated by interleukin-27.
Cell Rep, 41, 2022
8CO2
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BU of 8co2 by Molmil
YdaS N-terminal domain from prophage CP-933P in E. coli O157:H7
分子名称: ISOPROPYL ALCOHOL, Putative antirepressor protein Cro, SULFATE ION
著者Prolic-Kalinsek, M, Loris, R.
登録日2023-02-26
公開日2023-03-08
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.63880718 Å)
主引用文献YdaS from the Escherichia coli cryptic prophage CP-933P forms an evolutionary link between Cro repressors and HigA antitoxins
To Be Published
6UBH
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BU of 6ubh by Molmil
Structure of the MM7 Erbin PDZ variant in complex with a high-affinity peptide
分子名称: Erbin, SODIUM ION, peptide
著者Singer, A.U, Teyra, J, McLaughlin, M, Ernst, A, Sicheri, F, Sidhu, S.S.
登録日2019-09-11
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Comprehensive Assessment of the Relationship Between Site -2 Specificity and Helix alpha 2 in the Erbin PDZ Domain.
J.Mol.Biol., 433, 2021
8PUX
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BU of 8pux by Molmil
TEAD2 with a covalent inhibitor
分子名称: MYRISTIC ACID, Transcriptional enhancer factor TEF-4, ~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide
著者Guichou, J.F, Gelin, M, Allemand, F.
登録日2023-07-17
公開日2023-12-13
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Development of HC-258, a Covalent Acrylamide TEAD Inhibitor That Reduces Gene Expression and Cell Migration.
Acs Med.Chem.Lett., 14, 2023
8PUY
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BU of 8puy by Molmil
TEAD2 with a covalent inhibitor
分子名称: MYRISTIC ACID, Transcriptional enhancer factor TEF-4, ~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide
著者Guichou, J.F, Gelin, M, Allemand, F.
登録日2023-07-17
公開日2023-12-13
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Development of HC-258, a Covalent Acrylamide TEAD Inhibitor That Reduces Gene Expression and Cell Migration.
Acs Med.Chem.Lett., 14, 2023
5A6O
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BU of 5a6o by Molmil
Crystal structure of the apo form of the unphosphorylated human death associated protein kinase 3 (DAPK3)
分子名称: DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, S-1,2-PROPANEDIOL
著者Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G.
登録日2015-06-30
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献De Novo Fragment Design for Drug Discovery and Chemical Biology.
Angew.Chem.Int.Ed.Engl., 54, 2015
1TRA
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BU of 1tra by Molmil
RESTRAINED REFINEMENT OF THE MONOCLINIC FORM OF YEAST PHENYLALANINE TRANSFER RNA. TEMPERATURE FACTORS AND DYNAMICS, COORDINATED WATERS, AND BASE-PAIR PROPELLER TWIST ANGLES
分子名称: MAGNESIUM ION, TRNAPHE
著者Westhof, E, Sundaralingam, M.
登録日1986-05-16
公開日1986-07-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Restrained refinement of the monoclinic form of yeast phenylalanine transfer RNA. Temperature factors and dynamics, coordinated waters, and base-pair propeller twist angles.
Biochemistry, 25, 1986
5CM1
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BU of 5cm1 by Molmil
X-ray structure of perdeuterated TTR mutant - T119M at 1.22A
分子名称: Transthyretin
著者Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T.
登録日2015-07-16
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献X-ray structure of perdeuterated TTR mutant - T119M at 1.22A
To Be Published
5CLX
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BU of 5clx by Molmil
X-ray structure of perdeuterated TTR mutant - S52P at 1.28A resolution
分子名称: GLYCEROL, Transthyretin
著者Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T.
登録日2015-07-16
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献X-ray structure of perdeuterated TTR mutant - S52P at 1.28A resolution
To Be Published
5CLY
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BU of 5cly by Molmil
X-ray structure of TTR mutant - S52P at 1.23A resolution
分子名称: GLYCEROL, Transthyretin
著者Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T.
登録日2015-07-16
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献X-ray structure of TTR mutant - S52P at 1.23A resolution
To Be Published
5CLZ
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BU of 5clz by Molmil
X-ray structure of TTR mutant - T119M at 1.22A resolution
分子名称: Transthyretin
著者Yee, A.W, Moulin, M, Mossou, E, Cooper, J.B, Haertlein, M, Mitchell, E.P, Forsyth, V.T.
登録日2015-07-16
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献X-ray structure of TTR mutant - T119M at 1.22A resolution
To Be Published
5CN3
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BU of 5cn3 by Molmil
X-ray structure of wild-type TTR at 1.30A resolution
分子名称: Transthyretin
著者Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T.
登録日2015-07-17
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Impact of Deuteration on the Assembly Kinetics of Transthyretin Monitored by Native Mass Spectrometry and Implications for Amyloidoses.
Angew.Chem.Int.Ed.Engl., 55, 2016
5CNH
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BU of 5cnh by Molmil
X-ray structure of perdeuterated wild-type TTR at 1.42A resolution
分子名称: Transthyretin
著者Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T.
登録日2015-07-17
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Impact of Deuteration on the Assembly Kinetics of Transthyretin Monitored by Native Mass Spectrometry and Implications for Amyloidoses.
Angew.Chem.Int.Ed.Engl., 55, 2016
8P5S
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BU of 8p5s by Molmil
Crystal structure of the homohexameric 2-oxoglutarate dehydrogenase OdhA from Corynebacterium glutamicum
分子名称: 2-oxoglutarate dehydrogenase E1/E2 component, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, ...
著者Yang, L, Boyko, A, Bellinzoni, M.
登録日2023-05-24
公開日2023-08-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.459 Å)
主引用文献High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase.
Nat Commun, 14, 2023
8P5T
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BU of 8p5t by Molmil
Single particle cryo-EM structure of the homohexameric 2-oxoglutarate dehydrogenase OdhA from Corynebacterium glutamicum
分子名称: 2-oxoglutarate dehydrogenase E1/E2 component, ACETYL COENZYME *A, MAGNESIUM ION, ...
著者Yang, L, Mechaly, A.M, Bellinzoni, M.
登録日2023-05-24
公開日2023-08-16
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (2.17 Å)
主引用文献High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase.
Nat Commun, 14, 2023
8P5V
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BU of 8p5v by Molmil
Single particle cryo-EM structure of homohexameric 2-oxoglutarate dehydrogenase OdhA from Corynebacterium glutamicum in complex with the product succinyl-CoA
分子名称: 2-oxoglutarate dehydrogenase E1/E2 component, ACETYL COENZYME *A, MAGNESIUM ION, ...
著者Yang, L, Mechaly, A.M, Bellinzoni, M.
登録日2023-05-24
公開日2023-08-16
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (2.07 Å)
主引用文献High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase.
Nat Commun, 14, 2023
8P5R
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BU of 8p5r by Molmil
Crystal structure of full-length, homohexameric 2-oxoglutarate dehydrogenase KGD from Mycobacterium smegmatis in complex with GarA
分子名称: CALCIUM ION, Glycogen accumulation regulator GarA, MAGNESIUM ION, ...
著者Wagner, T, Mechaly, A.M, Alzari, P.M, Bellinzoni, M.
登録日2023-05-24
公開日2023-08-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (4.562 Å)
主引用文献High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase.
Nat Commun, 14, 2023

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