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3ZVA
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3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 75
Descriptor: 3C PROTEASE, ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
Authors:Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-07-24
Release date:2012-08-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZV9
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BU of 3zv9 by Molmil
3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 74
Descriptor: 3C PROTEASE, ETHYL (4R)-4-[(TERT-BUTOXYCARBONYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
Authors:Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-07-24
Release date:2012-08-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
4AOF
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BU of 4aof by Molmil
Selective small molecule inhibitor discovered by chemoproteomic assay platform reveals regulation of Th17 cell differentiation by PI3Kgamma
Descriptor: N-[6-(5-methylsulfonylpyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
Authors:Bergamini, G, Bell, K, Shimamura, S, Werner, T, Cansfield, A, Muller, K, Perrin, J, Rau, C, Ellard, K, Hopf, C, Doce, C, Leggate, D, Mangano, R, Mathieson, T, OMahony, A, Plavec, I, Rharbaoui, F, Reinhard, F, Savitski, M.M, Ramsden, N, Hirsch, E, Drewes, G, Rausch, O, Bantscheff, M, Neubauer, G.
Deposit date:2012-03-26
Release date:2012-05-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A Selective Inhibitor Reveals Pi3Kgamma Dependence of T(H)17 Cell Differentiation.
Nat.Chem.Biol., 8, 2012
3ZV8
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BU of 3zv8 by Molmil
Crystal structure of 3C protease of Enterovirus 68
Descriptor: 3C PROTEASE
Authors:Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-07-24
Release date:2012-08-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZVF
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BU of 3zvf by Molmil
3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 85
Descriptor: 3C PROTEASE, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
Authors:Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-07-24
Release date:2012-08-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZVB
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3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 81
Descriptor: 3C PROTEASE, ETHYL (4R)-4-{[N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL]AMINO}-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
Authors:Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-07-24
Release date:2012-08-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZVE
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BU of 3zve by Molmil
3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 84
Descriptor: 3C PROTEASE, O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
Authors:Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
Deposit date:2011-07-24
Release date:2012-08-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
2MLL
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BU of 2mll by Molmil
MISTLETOE LECTIN I FROM VISCUM ALBUM
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (RIBOSOME-INACTIVATING PROTEIN TYPE II)
Authors:Krauspenhaar, R, Eschenburg, S, Perbandt, M, Kornilov, V, Konareva, N, Mikailova, I, Stoeva, S, Wacker, R, Maier, T, Singh, T.P, Mikhailov, A, Voelter, W, Betzel, C.
Deposit date:1999-03-16
Release date:2000-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of mistletoe lectin I from Viscum album.
Biochem.Biophys.Res.Commun., 257, 1999
2G58
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BU of 2g58 by Molmil
Crystal structure of a complex of phospholipase A2 with a designed peptide inhibitor Dehydro-Ile-Ala-Arg-Ser at 0.98 A resolution
Descriptor: (PHQ)IARS, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION
Authors:Prem Kumar, R, Singh, N, Somvanshi, R.K, Ethayathulla, A.S, Dey, S, Sharma, S, Kaur, P, Perbandt, M, Betzel, C, Singh, T.P.
Deposit date:2006-02-22
Release date:2006-03-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Crystal structure of a complex of phospholipase A2 with a designed peptide inhibitor Dehydro-Ile-Ala-Arg-Ser at 0.98 A resolution
To be Published
8DG8
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BU of 8dg8 by Molmil
Cryo-EM Structure of HPIV3 prefusion F trimer in complex with 3x1 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3x1 monoclonal antibody, VH region, ...
Authors:Rodarte, J.V, Pancera, M.
Deposit date:2022-06-23
Release date:2023-02-22
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Cross-protective antibodies against common endemic respiratory viruses.
Nat Commun, 14, 2023
8DG9
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BU of 8dg9 by Molmil
Cryo-EM Structure of RSV prefusion F trimer in complex with three MxR Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, mAb MxR Heavy Chain, ...
Authors:Rodarte, J.V, Pancera, M.
Deposit date:2022-06-23
Release date:2023-02-22
Method:ELECTRON MICROSCOPY (2.24 Å)
Cite:Cross-protective antibodies against common endemic respiratory viruses.
Nat Commun, 14, 2023
1HE7
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BU of 1he7 by Molmil
Human Nerve growth factor receptor TrkA
Descriptor: GLYCEROL, HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR
Authors:Banfield, M, Robertson, A, Allen, S, Dando, J, Tyler, S, Bennett, G, Brain, S, Mason, G, Holden, P, Clarke, A, Naylor, R, Wilcock, G, Brady, R, Dawbarn, D.
Deposit date:2000-11-20
Release date:2001-04-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and Structure of the Nerve Growth Factor Binding Site on Trka.
Biochem.Biophys.Res.Commun., 282, 2001
5VIQ
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BU of 5viq by Molmil
Crystal structure of monomeric near-infrared fluorescent protein miRFP709
Descriptor: BILIVERDINE IX ALPHA, monomeric near-infrared fluorescent protein miRFP709
Authors:Pletnev, S.
Deposit date:2017-04-17
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Designing brighter near-infrared fluorescent proteins: insights from structural and biochemical studies.
Chem Sci, 8, 2017
5VIK
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BU of 5vik by Molmil
Crystal structure of monomeric near-infrared fluorescent protein miRFP703
Descriptor: BILIVERDINE IX ALPHA, near-infrared fluorescent protein miRFP703
Authors:Pletnev, S.
Deposit date:2017-04-17
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Designing brighter near-infrared fluorescent proteins: insights from structural and biochemical studies.
Chem Sci, 8, 2017
5VIV
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BU of 5viv by Molmil
Crystal structure of monomeric near-infrared fluorescent protein miRFP670
Descriptor: 3-[2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl] methyl]-5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]pro panoic acid, 3-[5-[[(3~{R},4~{R})-3-ethenyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, CHLORIDE ION, ...
Authors:Pletnev, S.
Deposit date:2017-04-17
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Designing brighter near-infrared fluorescent proteins: insights from structural and biochemical studies.
Chem Sci, 8, 2017
1TNV
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BU of 1tnv by Molmil
CRYSTAL STRUCTURAL ANALYSIS OF TOBACCO NECROSIS VIRUS (TNV) AT 5 ANGSTROMS RESOLUTION
Descriptor: TOBACCO NECROSIS VIRUS (SUBUNIT VP1), TOBACCO NECROSIS VIRUS (SUBUNIT VP3)
Authors:Tsukihara, T.
Deposit date:1994-03-11
Release date:1994-12-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (5 Å)
Cite:Crystal structural analysis of tobacco necrosis virus at 5 A resolution.
Acta Crystallogr.,Sect.D, 50, 1994
2JQS
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BU of 2jqs by Molmil
Conformation of DIP-AST5 from 2D NMR data
Descriptor: Allatostatins
Authors:Meyerowitz, E, Huang, C, Mohanty, S.
Deposit date:2007-06-07
Release date:2007-06-26
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Probing the conformation and dynamics of allatostatin neuropeptides: a structural model for functional differences.
Peptides, 29, 2008
2JQU
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BU of 2jqu by Molmil
Conformation of DIP-AST8 from 2D NMR data
Descriptor: Allatostatins
Authors:Meyerowitz, E, Huang, C, Mohanty, S.
Deposit date:2007-06-07
Release date:2007-06-26
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Probing the conformation and dynamics of allatostatin neuropeptides: a structural model for functional differences.
Peptides, 29, 2008
1C8G
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BU of 1c8g by Molmil
FELINE PANLEUKOPENIA VIRUS EMPTY CAPSID STRUCTURE
Descriptor: CALCIUM ION, FELINE PANLEUKOPENIA VIRUS CAPSID
Authors:Rossmann, M.G, Simpson, A.A.
Deposit date:2000-05-05
Release date:2000-08-09
Last modified:2023-04-19
Method:X-RAY DIFFRACTION (3 Å)
Cite:Host range and variability of calcium binding by surface loops in the capsids of canine and feline parvoviruses.
J.Mol.Biol., 300, 2000
1C8D
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BU of 1c8d by Molmil
CANINE PANLEUKOPENIA VIRUS EMPTY CAPSID STRUCTURE
Descriptor: CALCIUM ION, CANINE PARVOVIRUS CAPSID
Authors:Rossmann, M.G, Simpson, A.A.
Deposit date:2000-05-05
Release date:2000-08-09
Last modified:2023-04-19
Method:X-RAY DIFFRACTION (3 Å)
Cite:Host range and variability of calcium binding by surface loops in the capsids of canine and feline parvoviruses.
J.Mol.Biol., 300, 2000
1C8H
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BU of 1c8h by Molmil
CANINE PARVOVIRUS STRAIN D EMPTY CAPSID STRUCTURE AT PH 5.5
Descriptor: CALCIUM ION, CANINE PARVOVIRUS CAPSID
Authors:Rossmann, M.G, Simpson, A.A.
Deposit date:2000-05-05
Release date:2000-08-09
Last modified:2023-04-19
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Host range and variability of calcium binding by surface loops in the capsids of canine and feline parvoviruses.
J.Mol.Biol., 300, 2000
4QL1
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BU of 4ql1 by Molmil
Crystal structure of human WDR5 in complex with compound OICR-9429
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ...
Authors:Dong, A, Dombrovski, L, Walker, J.R, Getlik, M, Kuznetsova, E, Smil, D, Barsyte, D, Li, F, Poda, G, Senisterra, G, Marcellus, R, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2014-06-10
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Pharmacological targeting of the Wdr5-MLL interaction in C/EBP alpha N-terminal leukemia.
Nat.Chem.Biol., 11, 2015
1DNV
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BU of 1dnv by Molmil
PARVOVIRUS (DENSOVIRUS) FROM GALLERIA MELLONELLA
Descriptor: GALLERIA MELLONELLA DENSOVIRUS CAPSID PROTEIN
Authors:Simpson, A.A, Chipmann, P.R, Baker, T.S, Tijssen, P, Rossmann, M.G.
Deposit date:1998-07-22
Release date:1999-02-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The structure of an insect parvovirus (Galleria mellonella densovirus) at 3.7 A resolution.
Structure, 6, 1998
5COJ
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BU of 5coj by Molmil
Structure of Hydroxyethylthiazole kinase ThiM from Staphylococcus aureus in complex with native substrate 2-(4-methyl-1,3-thiazol-5-yl)ethanol.
Descriptor: 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, Hydroxyethylthiazole kinase, MAGNESIUM ION
Authors:Drebes, J, Kuenz, M, Eberle, R.J, Oberthuer, D, Cang, H, Wrenger, C, Betzel, C.
Deposit date:2015-07-20
Release date:2016-03-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections.
Sci Rep, 6, 2016
5CM5
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BU of 5cm5 by Molmil
Structure of Hydroxyethylthiazole Kinase ThiM from Staphylococcus aureus
Descriptor: Hydroxyethylthiazole kinase
Authors:Drebes, J, Kuenz, M, Eberle, R.J, Oberthuer, D, Cang, H, Wrenger, C, Betzel, C.
Deposit date:2015-07-16
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections.
Sci Rep, 6, 2016

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數據於2024-06-19公開中

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