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8CUN
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BU of 8cun by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-17
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CWA
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BU of 8cwa by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TC conformation, 53%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-18
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7D69
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BU of 7d69 by Molmil
Cryo-EM structure of the nucleosome containing Giardia histones
Descriptor: 601L DNA (145-MER), Histone H2A, Histone H2B, ...
Authors:Sato, S, Takizawa, Y, Kurumizaka, H.
Deposit date:2020-09-29
Release date:2021-09-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Cryo-EM structure of the nucleosome core particle containing Giardia lamblia histones.
Nucleic Acids Res., 49, 2021
4O5B
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BU of 4o5b by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid
Descriptor: (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2013-12-19
Release date:2014-07-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase.
Plos Pathog., 10, 2014
1THA
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BU of 1tha by Molmil
MECHANISM OF MOLECULAR RECOGNITION. STRUCTURAL ASPECTS OF 3,3'-DIIODO-L-THYRONINE BINDING TO HUMAN SERUM TRANSTHYRETIN
Descriptor: 3,3'-DEIODO-THYROXINE, TRANSTHYRETIN
Authors:Wojtczak, A, Luft, J, Cody, V.
Deposit date:1991-11-21
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of molecular recognition. Structural aspects of 3,3'-diiodo-L-thyronine binding to human serum transthyretin.
J.Biol.Chem., 267, 1992
7QRO
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BU of 7qro by Molmil
Crystal structure of the unconventional kinetochore protein Trypanosoma brucei KKT4 BRCT domain K543A mutant
Descriptor: Trypanosoma brucei KKT4 463-645 K543A
Authors:Ludzia, P, Akiyoshi, B.
Deposit date:2022-01-11
Release date:2022-02-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:NMR study of the structure and dynamics of the BRCT domain from the kinetochore protein KKT4.
Biomol.Nmr Assign., 18, 2024
8SK7
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BU of 8sk7 by Molmil
Cryo-EM structure of designed Influenza HA binder, HA_20, bound to Influenza HA (Strain: Iowa43)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HA_20 minibinder (RFdiffusion-designed), ...
Authors:Borst, A.J, Bennett, N.R.
Deposit date:2023-04-18
Release date:2023-06-14
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:De novo design of protein structure and function with RFdiffusion.
Nature, 620, 2023
6FOY
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BU of 6foy by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 9
Descriptor: 5-[2,3-bis(chloranyl)phenyl]furan-2-carboxylic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FP0
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BU of 6fp0 by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 4
Descriptor: (2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6FOX
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BU of 6fox by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with kynurenine
Descriptor: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6WU7
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BU of 6wu7 by Molmil
Human Calcium and Integrin Binding Protein 3 E150Q K151H
Descriptor: ACETATE ION, CALCIUM ION, Calcium and integrin-binding family member 3
Authors:Shapiro, L, Dionne, G.
Deposit date:2020-05-04
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:CIB2 and CIB3 are auxiliary subunits of the mechanotransduction channel of hair cells.
Neuron, 109, 2021
6WU5
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BU of 6wu5 by Molmil
Human Calcium and Integrin Binding Protein 3
Descriptor: CALCIUM ION, CHLORIDE ION, Calcium and integrin-binding family member 3, ...
Authors:Dionne, G, Shapiro, L.
Deposit date:2020-05-04
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:CIB2 and CIB3 are auxiliary subunits of the mechanotransduction channel of hair cells.
Neuron, 109, 2021
6WUD
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BU of 6wud by Molmil
Human Calcium and Integrin Binding Protein 3 Bound to TMC1 Residues 303-347
Descriptor: Calcium and integrin-binding family member 3, MAGNESIUM ION, Transmembrane channel-like protein 1
Authors:Shapiro, L, Dionne, G.
Deposit date:2020-05-04
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:CIB2 and CIB3 are auxiliary subunits of the mechanotransduction channel of hair cells.
Neuron, 109, 2021
6FP1
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BU of 6fp1 by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 1
Descriptor: 2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Levy, C.W, Leys, D.
Deposit date:2018-02-08
Release date:2019-08-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
2PGF
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BU of 2pgf by Molmil
Crystal structure of adenosine deaminase from Plasmodium vivax in complex with adenosine
Descriptor: ACETONITRILE, ADENOSINE, ZINC ION, ...
Authors:Larson, E.T, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2007-04-09
Release date:2007-04-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structures of substrate- and inhibitor-bound adenosine deaminase from a human malaria parasite show a dramatic conformational change and shed light on drug selectivity.
J.Mol.Biol., 381, 2008
2PGR
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BU of 2pgr by Molmil
Crystal structure of adenosine deaminase from Plasmodium vivax in complex with pentostatin
Descriptor: 2'-DEOXYCOFORMYCIN, ACETONITRILE, ZINC ION, ...
Authors:Larson, E.T, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2007-04-10
Release date:2007-04-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of substrate- and inhibitor-bound adenosine deaminase from a human malaria parasite show a dramatic conformational change and shed light on drug selectivity.
J.Mol.Biol., 381, 2008
3C08
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BU of 3c08 by Molmil
Crystal structure the Fab fragment of matuzumab/EMD72000 (Fab72000)
Descriptor: Matuzumab Fab Heavy chain, Matuzumab Fab Light chain, SULFATE ION
Authors:Ferguson, K.M, Schmiedel, J, Knoechel, T.
Deposit date:2008-01-18
Release date:2008-04-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Matuzumab binding to EGFR prevents the conformational rearrangement required for dimerization.
Cancer Cell, 13, 2008
3BJE
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BU of 3bje by Molmil
Crystal structure of Trypanosoma brucei nucleoside phosphorylase shows uridine phosphorylase activity
Descriptor: 1-O-phosphono-alpha-D-ribofuranose, CALCIUM ION, Nucleoside phosphorylase, ...
Authors:Larson, E.T, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2007-12-03
Release date:2007-12-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:The Crystal Structure and Activity of a Putative Trypanosomal Nucleoside Phosphorylase Reveal It to be a Homodimeric Uridine Phosphorylase
J.Mol.Biol., 396, 2010
2AR1
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BU of 2ar1 by Molmil
Structure of Hypothetical protein from Leishmania major
Descriptor: GLYCEROL, hypothetical protein
Authors:Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-08-18
Release date:2005-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Structure of Lmaj006129AAA, a hypothetical protein from Leishmania major.
Acta Crystallogr.,Sect.F, 62, 2006
2F67
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BU of 2f67 by Molmil
Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.6 A resolution with BENZO[CD]INDOL-2(1H)-ONE bound
Descriptor: BENZO[CD]INDOL-2(1H)-ONE, GLYCEROL, Nucleoside 2-deoxyribosyltransferase, ...
Authors:Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-11-28
Release date:2005-12-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
2F64
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BU of 2f64 by Molmil
Crystal structure of Nucleoside 2-deoxyribosyltransferase from Trypanosoma brucei at 1.6 A resolution with 1-METHYLQUINOLIN-2(1H)-ONE bound
Descriptor: 1-METHYLQUINOLIN-2(1H)-ONE, GLYCEROL, Nucleoside 2-deoxyribosyltransferase, ...
Authors:Bosch, J, Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-11-28
Release date:2005-12-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.
J.Med.Chem., 49, 2006
7UBF
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BU of 7ubf by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBD
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BU of 7ubd by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (A-CC conformation)
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBI
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BU of 7ubi by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TT conformation, 47%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UCP
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BU of 7ucp by Molmil
computationally designed macrocycle
Descriptor: computationally designed cyclic peptide D8.3.p2
Authors:Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M.
Deposit date:2022-03-17
Release date:2022-09-14
Last modified:2022-09-28
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022

223532

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