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6E9L
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BU of 6e9l by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and a pyridinylbenzamide based inhibitor
Descriptor: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2018-08-01
Release date:2018-11-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6SNJ
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BU of 6snj by Molmil
Solution structure of the FUS/TLS RNA recognition motif in complex with U1 snRNA stem loop III
Descriptor: RNA-binding protein FUS, U1 snRNA stem loop III, RNA (28-MER)
Authors:Campagne, S, Allain, F.H.
Deposit date:2019-08-26
Release date:2020-10-28
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Aberrant interaction of FUS with the U1 snRNA provides a molecular mechanism of FUS induced amyotrophic lateral sclerosis.
Nat Commun, 11, 2020
5FD6
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BU of 5fd6 by Molmil
zinc-bound manganese uptake regulator
Descriptor: Ferric uptake regulation protein, GLYCEROL, SULFATE ION, ...
Authors:Bellini, D, Hemmings, A.M, Walsh, M.A.
Deposit date:2015-12-15
Release date:2016-12-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:structure of a zinc-bound manganese uptake regulator, mur
To Be Published
8DYI
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BU of 8dyi by Molmil
IL17A homodimer bound to Compound 5
Descriptor: (5P)-5-[5-(benzylamino)pyridin-3-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indazol-3-amine, Interleukin-17A
Authors:Argiriadi, M.A, Goedken, E.R.
Deposit date:2022-08-04
Release date:2022-09-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
8DYH
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BU of 8dyh by Molmil
IL17A homodimer bound to Compound 6
Descriptor: (5P)-N-benzyl-6-chloro-5-(quinolin-5-yl)pyridin-3-amine, GLYCEROL, Interleukin-17A
Authors:Argiriadi, M.A, Goedken, E.R.
Deposit date:2022-08-04
Release date:2022-09-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
8DYF
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BU of 8dyf by Molmil
IL17A homodimer bound to Compound 10
Descriptor: (5M)-3-[({2-[2-(2-{2-[2-({[(5M)-3-carboxy-5-(5,8-dihydroquinolin-4-yl)phenyl]amino}methyl)phenoxy]ethoxy}ethoxy)ethoxy]phenyl}methyl)amino]-5-(quinolin-4-yl)benzoic acid, Interleukin-17A
Authors:Argiriadi, M.A, Goedken, E.R.
Deposit date:2022-08-04
Release date:2022-09-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
9FGP
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BU of 9fgp by Molmil
cilia and flagella associated protein 299
Descriptor: Cilia- and flagella-associated protein 299, ZINC ION
Authors:Wright, N.D, Koekemoer, L, Structural Genomics Consortium (SGC)
Deposit date:2024-05-24
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:cilia and flagella associated protein 299
To Be Published
9GYL
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BU of 9gyl by Molmil
Ferredoxin Wild-type -Oxidised state
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin-1, chloroplastic, ...
Authors:Carr, S.B, Wei, J, Vincent, K.A.
Deposit date:2024-10-02
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Cyanophenylalanine as an Infrared Probe for Iron-Sulfur Cluster Redox State in Multi-Centre Metalloenzymes.
Chembiochem, 2025
9GYN
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BU of 9gyn by Molmil
Ferredoxin Wild-type - Reduced state
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin-1, chloroplastic
Authors:Carr, S.B, Wei, J, Vincent, K.A.
Deposit date:2024-10-02
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1 Å)
Cite:Cyanophenylalanine as an Infrared Probe for Iron-Sulfur Cluster Redox State in Multi-Centre Metalloenzymes.
Chembiochem, 2025
9GYR
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BU of 9gyr by Molmil
Ferredoxin CNF labelled, oxidised state
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin-1, chloroplastic
Authors:Carr, S.B, Wei, J, Vincent, K.A.
Deposit date:2024-10-02
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Cyanophenylalanine as an Infrared Probe for Iron-Sulfur Cluster Redox State in Multi-Centre Metalloenzymes.
Chembiochem, 2025
9GYD
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BU of 9gyd by Molmil
Ferredoxin Wild-type -As-isolated state
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin-1, chloroplastic
Authors:Carr, S.B, Wei, J, Vincent, K.A.
Deposit date:2024-10-01
Release date:2025-05-28
Method:X-RAY DIFFRACTION (0.92 Å)
Cite:Cyanophenylalanine as an Infrared Probe for Iron-Sulfur Cluster Redox State in Multi-Centre Metalloenzymes.
Chembiochem, 2025
9GYU
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BU of 9gyu by Molmil
Ferredoxin CNF-labelled reduced state
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin-1, chloroplastic
Authors:Carr, S.B, Wei, J, Vincent, K.A.
Deposit date:2024-10-03
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Cyanophenylalanine as an Infrared Probe for Iron-Sulfur Cluster Redox State in Multi-Centre Metalloenzymes.
Chembiochem, 2025
9GZ0
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BU of 9gz0 by Molmil
FeFe Hydrogenase from Desulfovibrio desulfuricans labelled with cyanophenylalanine - oxidised state
Descriptor: CHLORIDE ION, IRON/SULFUR CLUSTER, LITHIUM ION, ...
Authors:Carr, S.B, Duan, Z, Rodroguez-Macia, P, Vincent, K.A.
Deposit date:2024-10-03
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Cyanophenylalanine as an Infrared Probe for Iron-Sulfur Cluster Redox State in Multi-Centre Metalloenzymes.
Chembiochem, 2025
9GZ4
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BU of 9gz4 by Molmil
FeFe Hydrogenase from Desulfovibrio desulfuricans labelled with cyanophenylalanine - reduced state
Descriptor: CHLORIDE ION, IRON/SULFUR CLUSTER, LITHIUM ION, ...
Authors:Carr, S.B, Duan, Z, Rodroguez-Macia, P, Vincent, K.A.
Deposit date:2024-10-03
Release date:2025-05-28
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Cyanophenylalanine as an Infrared Probe for Iron-Sulfur Cluster Redox State in Multi-Centre Metalloenzymes.
Chembiochem, 2025
9GZL
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BU of 9gzl by Molmil
Apo FeFe Hydrogenase from Desulfovibrio desulfuricans labelled with cyanophenylalanine
Descriptor: CHLORIDE ION, IRON/SULFUR CLUSTER, LITHIUM ION, ...
Authors:Carr, S.B, Duan, Z, Rodriguez-Macia, P, Vincent, K.A.
Deposit date:2024-10-04
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Cyanophenylalanine as an Infrared Probe for Iron-Sulfur Cluster Redox State in Multi-Centre Metalloenzymes.
Chembiochem, 2025
4CNS
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BU of 4cns by Molmil
Crystal structure of truncated human CRMP-4
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Ponnusamy, R, Lohkamp, B.
Deposit date:2014-01-24
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Human Crmp-4: Correction of Intensities for Lattice-Translocation Disorder
Acta Crystallogr.,Sect.D, 70, 2014
4CNT
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BU of 4cnt by Molmil
CRYSTAL STRUCTURE OF WT HUMAN CRMP-4
Descriptor: 1,2-ETHANEDIOL, DIHYDROPYRIMIDINASE-LIKE 3, SODIUM ION
Authors:Ponnusamy, R, Lohkamp, B.
Deposit date:2014-01-24
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal Structure of Human Crmp-4: Correction of Intensities for Lattice-Translocation Disorder
Acta Crystallogr.,Sect.D, 70, 2014
2GA2
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BU of 2ga2 by Molmil
h-MetAP2 complexed with A193400
Descriptor: 5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2
Authors:Park, C.
Deposit date:2006-03-07
Release date:2007-03-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of sulfonamide compounds as potent methionine aminopeptidase type II inhibitors with antiproliferative properties.
Bioorg.Med.Chem.Lett., 16, 2006
3OHN
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BU of 3ohn by Molmil
Crystal structure of the FimD translocation domain
Descriptor: Outer membrane usher protein FimD
Authors:Wang, T, Li, H.
Deposit date:2010-08-17
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.011 Å)
Cite:Crystal structure of the FimD usher bound to its cognate FimC-FimH substrate.
Nature, 474, 2011
2M5Y
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BU of 2m5y by Molmil
Solution Structure of the C-terminal domain of RV0431
Descriptor: Putative tuberculin related peptide
Authors:Huang, C, Wang, T, Li, H.
Deposit date:2013-03-13
Release date:2014-02-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Genetic regulation of vesiculogenesis and immunomodulation in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 110, 2013
5UPE
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BU of 5upe by Molmil
Crystal structure of human NAMPT with isoindoline urea inhibitor compound 5
Descriptor: N-{4-[(3-phenylpropyl)carbamoyl]phenyl}-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2017-02-02
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg. Med. Chem. Lett., 27, 2017
5VHB
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BU of 5vhb by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitor
Descriptor: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A.
Deposit date:2017-04-12
Release date:2018-01-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
5VIB
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BU of 5vib by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors
Descriptor: 3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A.
Deposit date:2017-04-14
Release date:2018-01-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
5UPF
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BU of 5upf by Molmil
Crystal structure of human NAMPT with isoindoline urea inhibitor compound 53
Descriptor: 5-fluoro-N-{4-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-isoindole-2-carboxamide, Nicotinamide phosphoribosyltransferase
Authors:Longenecker, K.L, Raich, D, Korepanova, A.V.
Deposit date:2017-02-02
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:SAR and characterization of non-substrate isoindoline urea inhibitors of nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg. Med. Chem. Lett., 27, 2017
5VI9
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BU of 5vi9 by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors
Descriptor: N-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A.
Deposit date:2017-04-14
Release date:2018-01-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018

236963

數據於2025-06-04公開中

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