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7TQ6
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BU of 7tq6 by Molmil
Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 13d
Descriptor: (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase, ...
Authors:Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2022-01-26
Release date:2022-02-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
7TQ5
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Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 10d
Descriptor: (1R,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
Authors:Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2022-01-26
Release date:2022-02-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
7TQ8
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Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 14d
Descriptor: (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, Orf1a protein, ...
Authors:Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2022-01-26
Release date:2022-03-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
4P3Z
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Chlamydia pneumoniae CopN (D29 construct)
Descriptor: CopN, GLYCEROL, SULFATE ION
Authors:Nawrotek, A, Guimaraes, B.G, Knossow, M, Gigant, B.
Deposit date:2014-03-10
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Biochemical and Structural Insights into Microtubule Perturbation by CopN from Chlamydia pneumoniae.
J.Biol.Chem., 289, 2014
4OL0
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BU of 4ol0 by Molmil
Crystal structure of transportin-SR2, a karyopherin involved in human disease, in complex with Ran
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Tsirkone, V.G, Strelkov, S.V.
Deposit date:2014-01-23
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of transportin SR2, a karyopherin involved in human disease, in complex with Ran.
Acta Crystallogr.,Sect.F, 70, 2014
4OMP
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BU of 4omp by Molmil
Crystal structure of the intertwined dimer of the c-Src tyrosine kinase SH3 domain mutant Q128K
Descriptor: DI(HYDROXYETHYL)ETHER, Proto-oncogene tyrosine-protein kinase Src, TRIETHYLENE GLYCOL
Authors:Camara-Artigas, A, Bacarizo, J.
Deposit date:2014-01-27
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Electrostatic Effects in the Folding of the SH3 Domain of the c-Src Tyrosine Kinase: pH-Dependence in 3D-Domain Swapping and Amyloid Formation.
Plos One, 9, 2014
7TQ4
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BU of 7tq4 by Molmil
Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 6c
Descriptor: 3C-like proteinase, N~2~-({[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2022-01-26
Release date:2022-06-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
7TQ3
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BU of 7tq3 by Molmil
Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 5c
Descriptor: 3C-like proteinase, N~2~-({[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2022-01-26
Release date:2022-06-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
7TQ2
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BU of 7tq2 by Molmil
Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 1c
Descriptor: 3C-like proteinase, N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-phenylcyclopropyl]methoxy}carbonyl)-L-leucinamide
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2022-01-26
Release date:2022-06-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
4RTY
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BU of 4rty by Molmil
Crystal structure of the c-Src-SH3 domain in complex with the high affinity peptide APP12
Descriptor: APP12 peptide, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION
Authors:Camara-Artigas, A, Bacarizo, J.
Deposit date:2014-11-16
Release date:2015-10-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.279 Å)
Cite:Crystal structure of the c-Src-SH3 domain in complex with the high affinity peptide APP12
To be Published
4RTV
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BU of 4rtv by Molmil
Crystal structure of the Src tyrosine kinase SH3 domain S94A/Q128R mutant in complex with the high affinity synthetic peptide APP12
Descriptor: APP12 peptide, Proto-oncogene tyrosine-protein kinase Src
Authors:Camara-Artigas, A, Bacarizo, J.
Deposit date:2014-11-16
Release date:2015-10-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Crystal structure of the Src tyrosine kinase SH3 domain S94A/Q128R mutant in complex with the high affinity synthetic peptide APP12
To be Published
4PEQ
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BU of 4peq by Molmil
Structure of bovine ribonuclease inhibitor complexed with bovine ribonuclease I
Descriptor: Ribonuclease pancreatic, Ribonuclease/angiogenin inhibitor 1
Authors:Bianchetti, C.M, Lomax, J.E, Raines, R.T, Fox, B.G.
Deposit date:2014-04-24
Release date:2014-06-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.211 Å)
Cite:Functional evolution of ribonuclease inhibitor: insights from birds and reptiles.
J.Mol.Biol., 426, 2014
4P40
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BU of 4p40 by Molmil
Chlamydia pneumoniae CopN
Descriptor: CHLORIDE ION, CopN, DIMETHYLAMINE, ...
Authors:Nawrotek, A, Guimaraes, B.G, Knossow, M, Gigant, B.
Deposit date:2014-03-10
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Biochemical and Structural Insights into Microtubule Perturbation by CopN from Chlamydia pneumoniae.
J.Biol.Chem., 289, 2014
4RTX
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BU of 4rtx by Molmil
Crystal structure of the Src tyrosine kinase SH3 domain T96G/Q128R mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Proto-oncogene tyrosine-protein kinase Src, ...
Authors:Camara-Artigas, A.
Deposit date:2014-11-16
Release date:2015-10-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Crystal structure of the Src tyrosine kinase SH3 domain T96G/Q128R mutant
To be Published
4RTU
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BU of 4rtu by Molmil
Crystal structure of the intertwined form of the Src tyrosine kinase SH3 domain T96G/Q128R mutant
Descriptor: DI(HYDROXYETHYL)ETHER, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ...
Authors:Camara-Artigas, A, Bacarizo, J.
Deposit date:2014-11-16
Release date:2015-10-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.453 Å)
Cite:Crystal structure of the intertwined form of the Src tyrosine kinase SH3 domain T96G/Q128R mutant
To be Published
4QH8
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BU of 4qh8 by Molmil
LC8 - Ana2 (237-246) Complex
Descriptor: Anastral spindle 2, Dynein light chain 1, cytoplasmic
Authors:Slevin, L.K, Romes, E.R, Dandulakis, M.G, Slep, K.C.
Deposit date:2014-05-27
Release date:2014-06-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Mechanism of Dynein Light Chain LC8-mediated Oligomerization of the Ana2 Centriole Duplication Factor.
J.Biol.Chem., 289, 2014
4RTZ
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BU of 4rtz by Molmil
Crystal structure of the c-Src-SH3 domain in complex with the high affinity peptide VSL12
Descriptor: GLYCEROL, NICKEL (II) ION, Proto-oncogene tyrosine-protein kinase Src, ...
Authors:Camara-Artigas, A, Bacarizo, J.
Deposit date:2014-11-16
Release date:2015-10-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.979 Å)
Cite:Crystal structure of the c-Src-SH3 domain in complex with the high affinity peptide VSL12
To be Published
4RTW
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BU of 4rtw by Molmil
Crystal structure of the c-Src-SH3 domain E93V/Q128R mutant in complex with the high affinity peptide APP12
Descriptor: APP12 peptide, GLYCEROL, Proto-oncogene tyrosine-protein kinase Src, ...
Authors:Camara-Artigas, A, Bacarizo, J.
Deposit date:2014-11-16
Release date:2015-10-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Crystal structure of the c-Src-SH3 domain E93V/Q128R mutant in complex with the high affinity peptide APP12
To be Published
2XLP
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BU of 2xlp by Molmil
Joint-functions of protein residues and NADP(H) in oxygen-activation by flavin-containing monooxygenase: Asn78Ser mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Orru, R, Fraaije, M.W, Mattevi, A.
Deposit date:2010-07-21
Release date:2010-09-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Joint functions of protein residues and NADP(H) in oxygen activation by flavin-containing monooxygenase.
J. Biol. Chem., 285, 2010
2XLT
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BU of 2xlt by Molmil
Joint-functions of protein residues and NADP(H) in oxygen-activation by flavin-containing monooxygenase: complex with 3-Acetylpyridine adenine dinucleotide phosphate (APADP)
Descriptor: 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE PHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Orru, R, Fraaije, M.W, Mattevi, A.
Deposit date:2010-07-21
Release date:2010-09-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Joint functions of protein residues and NADP(H) in oxygen activation by flavin-containing monooxygenase.
J. Biol. Chem., 285, 2010
2XLR
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BU of 2xlr by Molmil
Joint-functions of protein residues and NADP(H) in oxygen-activation by flavin-containing monooxygenase: Asn78Asp mutant
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FLAVIN-CONTAINING MONOOXYGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Orru, R, Fraaije, M.W, Mattevi, A.
Deposit date:2010-07-21
Release date:2010-09-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Joint functions of protein residues and NADP(H) in oxygen activation by flavin-containing monooxygenase.
J. Biol. Chem., 285, 2010
2XLU
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BU of 2xlu by Molmil
Joint-functions of protein residues and NADP(H) in oxygen-activation by flavin-containing monooxygenase: complex with thioNADP
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Orru, R, Fraaije, M.W, Mattevi, A.
Deposit date:2010-07-21
Release date:2010-09-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Joint-Functions of Protein Residues and Nadp(H) in Oxygen-Activation by Flavin-Containing Monooxygenase
J.Biol.Chem., 285, 2010
2XLS
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BU of 2xls by Molmil
Joint-functions of protein residues and NADP(H) in oxygen-activation by flavin-containing monooxygenase: Asn78Lys mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Orru, R, Fraaije, M.W, Mattevi, A.
Deposit date:2010-07-21
Release date:2010-09-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Joint-Functions of Protein Residues and Nadp(H) in Oxygen-Activation by Flavin-Containing Monooxygenase
J.Biol.Chem., 285, 2010
2YXV
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BU of 2yxv by Molmil
The deletion mutant of Multicopper Oxidase CueO
Descriptor: Blue copper oxidase cueO, COPPER (II) ION, CU-O-CU LINKAGE, ...
Authors:Higuchi, Y, Komori, H.
Deposit date:2007-04-27
Release date:2008-01-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure and function of the engineered multicopper oxidase CueO from Escherichia coli--deletion of the methionine-rich helical region covering the substrate-binding site
J.Mol.Biol., 373, 2007
5Y3T
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BU of 5y3t by Molmil
Crystal structure of hetero-trimeric core of LUBAC: HOIP double-UBA complexed with HOIL-1L UBL and SHARPIN UBL
Descriptor: E3 ubiquitin-protein ligase RNF31, GLYCEROL, RanBP-type and C3HC4-type zinc finger-containing protein 1, ...
Authors:Tokunaga, A, Fujita, H, Ariyoshi, M, Ohki, I, Tochio, H, Iwai, K, Shirakawa, M.
Deposit date:2017-07-31
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cooperative Domain Formation by Homologous Motifs in HOIL-1L and SHARPIN Plays A Crucial Role in LUBAC Stabilization.
Cell Rep, 23, 2018

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