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6ZGP
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BU of 6zgp by Molmil
Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with inhibitor MMV12 (MMV020670)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ...
著者Quareshy, M, Shanmugam, M, Bugg, T.D.H, Cameron, A, Chen, Y.
登録日2020-06-19
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer.
J.Biol.Chem., 296, 2020
6Y8J
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BU of 6y8j by Molmil
Crystal structure of the apo form of a quaternary ammonium Rieske monooxygenase CntA
分子名称: Carnitine monooxygenase oxygenase subunit, FE2/S2 (INORGANIC) CLUSTER
著者Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y.
登録日2020-03-05
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer.
J.Biol.Chem., 296, 2020
6Y9D
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BU of 6y9d by Molmil
Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with substrate L-Carnitine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARNITINE, Carnitine monooxygenase oxygenase subunit, ...
著者Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y.
登録日2020-03-06
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer.
J.Biol.Chem., 296, 2020
6Y8S
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BU of 6y8s by Molmil
Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with substrate gamma-butyrobetaine
分子名称: 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ...
著者Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y.
登録日2020-03-05
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.629 Å)
主引用文献Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer.
J.Biol.Chem., 296, 2020
6Y9C
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BU of 6y9c by Molmil
The structure of a quaternary ammonium Rieske monooxygenase reveals insights into carnitine oxidation by gut microbiota and inter-subunit electron transfer
分子名称: CARNITINE, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ...
著者Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y.
登録日2020-03-06
公開日2021-03-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Characterisation of an unusual cysteine pair in the Rieske carnitine monooxygenase CntA catalytic site.
Febs J., 2023
5UNE
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BU of 5une by Molmil
Dimerized Structure Gives Further Insight Into the Function of the Novel RNA Gene: HAR1
分子名称: MAGNESIUM ION, RNA (47-MER)
著者Lares, M, Scott, W.G.
登録日2017-01-30
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.900099 Å)
主引用文献Dimerized Structure Gives Further Insight Into the Function of the Novel RNA Gene: HAR1
To Be Published
3PLV
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BU of 3plv by Molmil
Structure of Hub-1 protein in complex with Snu66 peptide (HINDII)
分子名称: 66 kDa U4/U6.U5 small nuclear ribonucleoprotein component, Ubiquitin-like modifier HUB1
著者Mishra, S.K, Ammon, T, Popowicz, G.M, Krajewski, M, Nagel, R.J, Ares, M, Holak, T.A, Jentsch, S.
登録日2010-11-15
公開日2011-06-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Role of the ubiquitin-like protein Hub1 in splice-site usage and alternative splicing.
Nature, 474, 2011
3PLU
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BU of 3plu by Molmil
Structure of Hub-1 protein in complex with Snu66 peptide (HINDI)
分子名称: 66 kDa U4/U6.U5 small nuclear ribonucleoprotein component, Ubiquitin-like modifier HUB1
著者Mishra, S.K, Ammon, T, Popowicz, G.M, Krajewski, M, Nagel, R.J, Ares, M, Holak, T.A, Jentsch, S.
登録日2010-11-15
公開日2011-06-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Role of the ubiquitin-like protein Hub1 in splice-site usage and alternative splicing.
Nature, 474, 2011
1T4N
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BU of 1t4n by Molmil
Solution structure of Rnt1p dsRBD
分子名称: Ribonuclease III
著者Leulliot, N, Quevillon-Cheruel, S, Graille, M, van Tilbeurgh, H, Leeper, T.C, Godin, K.S, Edwards, T.E, Sigurdsson, S.T, Rozenkrants, N, Nagel, R.J, Ares, M, Varani, G.
登録日2004-04-30
公開日2004-07-13
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A new alpha-helical extension promotes RNA binding by the dsRBD of Rnt1p RNAse III
Embo J., 23, 2004
3NDA
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BU of 3nda by Molmil
Crystal structure of serpin from tick Ixodes ricinus
分子名称: PENTAETHYLENE GLYCOL, Serpin-2
著者Rezacova, P, Kovarova, Z, Chmelar, J, Mares, M.
登録日2010-06-07
公開日2010-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A tick salivary protein targets cathepsin G and chymase and inhibits host inflammation and platelet aggregation.
Blood, 117, 2011
6TT6
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BU of 6tt6 by Molmil
Solution structure of PD-i6 peptide inhibitor of the human PD-1 extracellular domain
分子名称: PD-i6 peptide
著者Guardiola, S, Varese, M, Garcia, J, Giralt, E.
登録日2019-12-23
公開日2021-01-13
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Solution structure of PD-i6 peptide targeting the human PD-1 extracellular domain
To Be Published
8FG2
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BU of 8fg2 by Molmil
SARS-CoV-2 Nucleocapsid dimer structure determined from COVID-19 patients
分子名称: Nucleoprotein
著者Casasanta, M, Jonaid, G.M, Kaylor, L, Luqiu, W, DiCecco, L, Solares, M, Berry, S, Kelly, D.F.
登録日2022-12-12
公開日2023-01-11
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Structural Insights of the SARS-CoV-2 Nucleocapsid Protein: Implications for the Inner-workings of Rapid Antigen Tests.
Microsc Microanal, 29, 2023
6QBG
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BU of 6qbg by Molmil
Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 14
分子名称: (3~{S},7~{S},8~{S})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brynda, J, Houstecka, R, Majer, P, Mares, M.
登録日2018-12-21
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis.
J.Med.Chem., 63, 2020
3LK2
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BU of 3lk2 by Molmil
Crystal structure of CapZ bound to the uncapping motif from CARMIL
分子名称: F-actin-capping protein subunit alpha-1, F-actin-capping protein subunit beta isoforms 1 and 2, Leucine-rich repeat-containing protein 16A
著者Hernandez-Valladares, M, Kim, T, Kannan, B, Tung, A, Aguda, A.H, Larsson, M, Cooper, J.A, Robinson, R.C.
登録日2010-01-27
公開日2010-04-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural characterization of a capping protein interaction motif defines a family of actin filament regulators.
Nat.Struct.Mol.Biol., 17, 2010
3LK4
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BU of 3lk4 by Molmil
Crystal structure of CapZ bound to the uncapping motif from CD2AP
分子名称: CD2-associated protein, F-actin-capping protein subunit alpha-1, F-actin-capping protein subunit beta isoforms 1 and 2
著者Hernandez-Valladares, M, Kim, T, Kannan, B, Tung, A, Cooper, J.A, Robinson, R.C.
登録日2010-01-27
公開日2010-04-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural characterization of a capping protein interaction motif defines a family of actin filament regulators.
Nat.Struct.Mol.Biol., 17, 2010
3LK3
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BU of 3lk3 by Molmil
Crystal structure of CapZ bound to the CPI and CSI uncapping motifs from CARMIL
分子名称: F-actin-capping protein subunit alpha-1, F-actin-capping protein subunit beta isoforms 1 and 2, Leucine-rich repeat-containing protein 16A
著者Hernandez-Valladares, M, Kim, T, Kannan, B, Tung, A, Cooper, J.A, Robinson, R.C.
登録日2010-01-27
公開日2010-04-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structural characterization of a capping protein interaction motif defines a family of actin filament regulators.
Nat.Struct.Mol.Biol., 17, 2010
7NXM
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BU of 7nxm by Molmil
Structure of human cathepsin K in complex with the selective activity-based probe Gu3416
分子名称: Cathepsin K, N-(4-(dibenzylamino)-4-oxobutyl)-2-(5-(dimethylamino)pentanamido)-4-methylpentanamide, SULFATE ION
著者Busa, M, Benysek, J, Lemke, C, Gutschow, M, Mares, M.
登録日2021-03-18
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献An Activity-Based Probe for Cathepsin K Imaging with Excellent Potency and Selectivity.
J.Med.Chem., 64, 2021
7NXL
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BU of 7nxl by Molmil
Structure of human cathepsin K in complex with the acrylamide inhibitor Gu3110
分子名称: Cathepsin K, SULFATE ION, tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
著者Busa, M, Benysek, J, Lemke, C, Gutschow, M, Mares, M.
登録日2021-03-18
公開日2021-09-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Activity-Based Probe for Cathepsin K Imaging with Excellent Potency and Selectivity.
J.Med.Chem., 64, 2021
6I1M
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BU of 6i1m by Molmil
Secreted type 1 cystatin from Fasciola hepatica
分子名称: Cystatin, IODIDE ION
著者Busa, M, Rezacova, P, Pachl, P, Stefanic, S, Mares, M.
登録日2018-10-29
公開日2020-08-26
最終更新日2023-03-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An evolutionary molecular adaptation of an unusual stefin from the liver fluke Fasciola hepatica redefines the cystatin superfamily.
J.Biol.Chem., 299, 2023
8R6T
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BU of 8r6t by Molmil
NMR solution structure of thyropin IrThy-Cd from the hard tick Ixodes ricinus
分子名称: Putative two thyropin protein (Fragment)
著者Srb, P, Veverka, V, Matouskova, Z, Orsaghova, K, Mares, M.
登録日2023-11-23
公開日2024-02-28
最終更新日2024-03-06
実験手法SOLUTION NMR
主引用文献An Unusual Two-Domain Thyropin from Tick Saliva: NMR Solution Structure and Highly Selective Inhibition of Cysteine Cathepsins Modulated by Glycosaminoglycans.
Int J Mol Sci, 25, 2024
6YI7
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BU of 6yi7 by Molmil
Structure of cathepsin B1 from Schistosoma mansoni (SmCB1) in complex with an azanitrile inhibitor
分子名称: 1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea, ACETATE ION, Cathepsin B-like peptidase (C01 family)
著者Jilkova, A, Rezacova, P, Pachl, P, Fanfrlik, J, Rubesova, P, Guetschow, M, Mares, M.
登録日2020-04-01
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Azanitrile Inhibitors of the SmCB1 Protease Target Are Lethal to Schistosoma mansoni : Structural and Mechanistic Insights into Chemotype Reactivity.
Acs Infect Dis., 7, 2021
8CCU
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BU of 8ccu by Molmil
Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 1
分子名称: Cathepsin B-like peptidase (C01 family), SODIUM ION, [(2~{S})-1-[[(2~{S})-1-[[(2~{S})-5-[(2~{S})-3-methoxy-2-(2-methylpropyl)-5-oxidanylidene-2~{H}-pyrrol-1-yl]-5-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl] (2~{S},3~{S})-2-(dimethylamino)-3-methyl-pentanoate
著者Rubesova, P, Brynda, J, Gerwick, W.H, Mares, M.
登録日2023-01-27
公開日2024-02-07
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis.
Acs Infect Dis., 10, 2024
8CC2
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BU of 8cc2 by Molmil
Cathepsin B1 from Schistosoma mansoni in complex with gallinamide A
分子名称: Cathepsin B-like peptidase (C01 family), SODIUM ION, gallinamide A, ...
著者Rubesova, P, Brynda, J, Mares, M, Gerwick, W.H.
登録日2023-01-26
公開日2024-02-07
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis.
Acs Infect Dis., 10, 2024
6ZTK
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BU of 6ztk by Molmil
Crystal structure of Mialostatin, a gut cystatin from the hard tick Ixodes ricinus
分子名称: FRAGMENT OF TRITON X-100, Mialostatin, SULFATE ION
著者Busa, M, Rezacova, P, Mares, M.
登録日2020-07-20
公開日2021-06-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Mialostatin, a Novel Midgut Cystatin from Ixodes ricinus Ticks: Crystal Structure and Regulation of Host Blood Digestion.
Int J Mol Sci, 22, 2021
5N71
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CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1)
分子名称: DI(HYDROXYETHYL)ETHER, Putative cathepsin d, SULFATE ION
著者Brynda, J, Hanova, I, Hobizalova, R, Mares, M.
登録日2017-02-17
公開日2017-12-27
最終更新日2018-03-28
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite.
Cell Chem Biol, 25, 2018

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