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5OB7
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BU of 5ob7 by Molmil
X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-IM), IM=imidazole (crystal 2)
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
Authors:Pontillo, N, Ferraro, G, Merlino, A.
Deposit date:2017-06-26
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.
Dalton Trans, 46, 2017
5OBC
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BU of 5obc by Molmil
X-ray structure of the adduct formed upon reaction of ribonuclease A with the compound fac-[RuII(CO)3Cl2(N3-IM), IM=imidazole
Descriptor: PHOSPHATE ION, Ribonuclease pancreatic, pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium, ...
Authors:Pontillo, N, Ferraro, G, Merlino, A.
Deposit date:2017-06-26
Release date:2017-07-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.
Dalton Trans, 46, 2017
5OB9
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BU of 5ob9 by Molmil
X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-MIM), MIM=methyl-imidazole (crystals grown using ethylene glycol
Descriptor: 1,2-ETHANEDIOL, Lysozyme C, NITRATE ION, ...
Authors:Pontillo, N, Ferraro, G, Merlino, A.
Deposit date:2017-06-26
Release date:2017-07-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.
Dalton Trans, 46, 2017
5OLE
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BU of 5ole by Molmil
X-ray structure of the adduct formed upon reaction of hen egg white lysozyme with a tetranuclear Pt-thiosemicarbazone compound
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Lysozyme C, ...
Authors:Ferraro, G, Merlino, A.
Deposit date:2017-07-27
Release date:2018-08-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Reactions of a tetranuclear Pt-thiosemicarbazone complex with model proteins.
J. Inorg. Biochem., 181, 2018
5OLD
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BU of 5old by Molmil
X-ray structure of the adduct formed upon reaction of ribonuclease A with a tetranuclear Pt-thiosemicarbazone compound
Descriptor: DIMETHYL SULFOXIDE, PLATINUM (II) ION, Ribonuclease pancreatic
Authors:Ferraro, G, Merlino, A.
Deposit date:2017-07-27
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Reactions of a tetranuclear Pt-thiosemicarbazone complex with model proteins.
J. Inorg. Biochem., 181, 2018
2Y41
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BU of 2y41 by Molmil
Structure of Isopropylmalate dehydrogenase from Thermus thermophilus - complex with IPM and MN
Descriptor: 3-ISOPROPYLMALATE DEHYDROGENASE, 3-ISOPROPYLMALIC ACID, MANGANESE (II) ION
Authors:Graczer, E, merlin, A, Singh, R.K, Manikandan, K, Zavodsky, P, Weiss, M.S, Vas, M.
Deposit date:2011-01-04
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Atomic Level Description of the Domain Closure in a Dimeric Enzyme: Thermus Thermophilus 3-Isopropylmalate Dehydrogenase.
Mol.Biosyst., 7, 2011
2Y42
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BU of 2y42 by Molmil
Structure of Isopropylmalate dehydrogenase from Thermus thermophilus - complex with NADH and Mn
Descriptor: 3-ISOPROPYLMALATE DEHYDROGENASE, BICINE, MANGANESE (II) ION, ...
Authors:Graczer, E, merlin, A, Singh, R.K, Manikandan, K, Zavodsky, P, Weiss, M.S, Vas, M.
Deposit date:2011-01-04
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Atomic Level Description of the Domain Closure in a Dimeric Enzyme: Thermus Thermophilus 3-Isopropylmalate Dehydrogenase.
Mol.Biosyst., 7, 2011
2Y40
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BU of 2y40 by Molmil
Structure of Isopropylmalate dehydrogenase from Thermus thermophilus - complex with Mn
Descriptor: 3-ISOPROPYLMALATE DEHYDROGENASE, MANGANESE (II) ION
Authors:Graczer, E, merlin, A, Singh, R.K, Manikandan, K, Zavodsky, P, Weiss, M.S, Vas, M.
Deposit date:2011-01-04
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Atomic Level Description of the Domain Closure in a Dimeric Enzyme: Thermus Thermophilus 3-Isopropylmalate Dehydrogenase.
Mol.Biosyst., 7, 2011
2Y3Z
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BU of 2y3z by Molmil
Structure of Isopropylmalate dehydrogenase from Thermus thermophilus - apo enzyme
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-ISOPROPYLMALATE DEHYDROGENASE, GLYCEROL, ...
Authors:Graczer, E, merlin, A, Singh, R.K, Manikandan, K, Zavodsky, P, Weiss, M.S, Vas, M.
Deposit date:2011-01-04
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Atomic Level Description of the Domain Closure in a Dimeric Enzyme: Thermus Thermophilus 3-Isopropylmalate Dehydrogenase.
Mol.Biosyst., 7, 2011
1Y92
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BU of 1y92 by Molmil
Crystal structure of the P19A/N67D Variant Of Bovine seminal Ribonuclease
Descriptor: Seminal ribonuclease
Authors:Picone, D, Di Fiore, A, Ercole, C, Franzese, M, Sica, F, Tomaselli, S, Mazzarella, L.
Deposit date:2004-12-14
Release date:2004-12-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Role of the Hinge Loop in Domain Swapping: THE SPECIAL CASE OF BOVINE SEMINAL RIBONUCLEASE.
J.Biol.Chem., 280, 2005
1Y94
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BU of 1y94 by Molmil
Crystal structure of the G16S/N17T/P19A/S20A/N67D Variant Of Bovine seminal Ribonuclease
Descriptor: Seminal ribonuclease
Authors:Picone, D, Di Fiore, A, Ercole, C, Franzese, M, Sica, F, Tomaselli, S, Mazzarella, L.
Deposit date:2004-12-14
Release date:2004-12-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Role of the Hinge Loop in Domain Swapping: THE SPECIAL CASE OF BOVINE SEMINAL RIBONUCLEASE.
J.Biol.Chem., 280, 2005
6ZCI
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BU of 6zci by Molmil
Crystal structure of BRD4-BD1 in complex with NVS-BET-1
Descriptor: (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one, Bromodomain-containing protein 4
Authors:Faller, M.
Deposit date:2020-06-11
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.976 Å)
Cite:BET bromodomain inhibitors regulate keratinocyte plasticity.
Nat.Chem.Biol., 17, 2021
5EW1
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BU of 5ew1 by Molmil
Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD1-deltaT3, ...
Authors:Pica, A, Russo Krauss, I, Parente, V, Sica, F.
Deposit date:2015-11-20
Release date:2016-11-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers.
Nucleic Acids Res., 45, 2017
5EW2
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BU of 5ew2 by Molmil
Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT12
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD1-deltaT12, ...
Authors:Pica, A, Russo Krauss, I, Parente, V, Sica, F.
Deposit date:2015-11-20
Release date:2016-11-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers.
Nucleic Acids Res., 45, 2017
3TT0
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BU of 3tt0 by Molmil
Co-structure of Fibroblast Growth Factor Receptor 1 kinase domain with 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (BGJ398)
Descriptor: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea, Basic fibroblast growth factor receptor 1, GLYCEROL, ...
Authors:Bussiere, D.E, Murray, J.M, Shu, W.
Deposit date:2011-09-13
Release date:2012-06-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (NVP-BGJ398), a potent and selective inhibitor of the fibroblast growth factor receptor family of receptor tyrosine kinase.
J.Med.Chem., 54, 2011
6TFP
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BU of 6tfp by Molmil
BTK in complex with LOU064, a potent and highly selective covalent inhibitor
Descriptor: SODIUM ION, Tyrosine-protein kinase BTK, ~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide
Authors:Scheufler, C, Hinniger, A, Gutmann, S.
Deposit date:2019-11-14
Release date:2020-03-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 63, 2020
6S90
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BU of 6s90 by Molmil
BTK in complex with an inhibitor
Descriptor: 4-~{tert}-butyl-~{N}-[2-methyl-3-[6-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]benzamide, Tyrosine-protein kinase BTK
Authors:Gutmann, S, Hinniger, A.
Deposit date:2019-07-11
Release date:2019-09-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Design of Potent and Selective Covalent Inhibitors of Bruton's Tyrosine Kinase Targeting an Inactive Conformation.
Acs Med.Chem.Lett., 10, 2019
7BFL
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BU of 7bfl by Molmil
X-ray structure of SS-RNase-2 des116-120
Descriptor: Angiogenin-1
Authors:Sica, F, Russo Krauss, I, Troisi, R.
Deposit date:2021-01-04
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:The structural features of an ancient ribonuclease from Salmo salar reveal an intriguing case of auto-inhibition.
Int.J.Biol.Macromol., 182, 2021
7BFK
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BU of 7bfk by Molmil
X-ray structure of SS-RNase-2
Descriptor: Angiogenin-1
Authors:Sica, F, Russo Krauss, I, Troisi, R.
Deposit date:2021-01-04
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The structural features of an ancient ribonuclease from Salmo salar reveal an intriguing case of auto-inhibition.
Int.J.Biol.Macromol., 182, 2021
6ETO
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BU of 6eto by Molmil
Atomic resolution structure of RNase A (data collection 5)
Descriptor: ISOPROPYL ALCOHOL, Ribonuclease pancreatic
Authors:Caterino, M, Vergara, A, Merlino, A.
Deposit date:2017-10-27
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Chembiochem, 2018

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数据于2024-11-06公开中

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