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6FLB
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BU of 6flb by Molmil
3H5 Fab bound to EDIII of DenV 2 Xtal form 2
Descriptor: CHLORIDE ION, Domain III of Dengue virus 2, GLYCEROL, ...
Authors:Flanagan, A, Renner, M, Grimes, J.M.
Deposit date:2018-01-25
Release date:2018-10-24
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Characterization of a potent and highly unusual minimally enhancing antibody directed against dengue virus.
Nat. Immunol., 19, 2018
1QUV
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BU of 1quv by Molmil
CRYSTAL STRUCTURE OF THE RNA DIRECTED RNA POLYMERASE OF HEPATITIS C VIRUS
Descriptor: PROTEIN (RNA-DIRECTED RNA POLYMERASE)
Authors:Ago, H, Miyano, M, Adachi, T, Habuka, N.
Deposit date:1999-07-04
Release date:1999-11-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the RNA-dependent RNA polymerase of hepatitis C virus.
Structure Fold.Des., 7, 1999
7XE1
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BU of 7xe1 by Molmil
Crystal structure of LSD2 in complex with cis-4-Br-PCPA
Descriptor: 3-(4-bromophenyl)propanal, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
Authors:Niwa, H, Sato, S, Umehara, T.
Deposit date:2022-03-29
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
7XE2
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BU of 7xe2 by Molmil
Crystal structure of LSD2 in complex with trans-4-Br-PCPA
Descriptor: 3-(4-bromophenyl)propanal, CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Niwa, H, Sato, S, Umehara, T.
Deposit date:2022-03-29
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
7XE3
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BU of 7xe3 by Molmil
Crystal structure of LSD2 in complex with cis-4-Br-2,5-F2-PCPA (S1024)
Descriptor: 1,2-ETHANEDIOL, 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal, CITRATE ANION, ...
Authors:Niwa, H, Sato, S, Umehara, T.
Deposit date:2022-03-29
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
7W3L
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BU of 7w3l by Molmil
Crystal structure of LSD1 in complex with cis-4-Br-2,5-F2-PCPA (S1024)
Descriptor: 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Niwa, H, Sato, S, Umehara, T.
Deposit date:2021-11-25
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure-Activity Relationship and In Silico Evaluation of cis- and trans-PCPA-Derived Inhibitors of LSD1 and LSD2
Acs Med.Chem.Lett., 13, 2022
1DT4
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BU of 1dt4 by Molmil
CRYSTAL STRUCTURE OF NOVA-1 KH3 K-HOMOLOGY RNA-BINDING DOMAIN
Descriptor: NEURO-ONCOLOGICAL VENTRAL ANTIGEN 1
Authors:Lewis, H.A, Chen, H, Edo, C, Buckanovich, R.J, Yang, Y.Y.L.
Deposit date:2000-01-11
Release date:2000-02-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of Nova-1 and Nova-2 K-homology RNA-binding domains.
Structure Fold.Des., 7, 1999
5XFM
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BU of 5xfm by Molmil
Crystal structure of beta-arabinopyranosidase
Descriptor: Alpha-glucosidase, CALCIUM ION
Authors:Kato, K, Okuyama, M, Yao, M.
Deposit date:2017-04-10
Release date:2018-02-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A novel glycoside hydrolase family 97 enzyme: Bifunctional beta-l-arabinopyranosidase/ alpha-galactosidase from Bacteroides thetaiotaomicron.
Biochimie, 142, 2017
8EM5
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BU of 8em5 by Molmil
Mycobacterium thermoresistible MmpS5
Descriptor: DODECAETHYLENE GLYCOL, GLYCEROL, IODIDE ION, ...
Authors:Cuthbert, B.J, Goulding, C.W.
Deposit date:2022-09-26
Release date:2023-09-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The structure of Mycobacterium thermoresistibile MmpS5 reveals a conserved disulfide bond across mycobacteria.
Metallomics, 16, 2024
3WPN
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BU of 3wpn by Molmil
Kinesin spindle protein Eg5 in complex with ATP-competitive inhibitor PVZB1194
Descriptor: 3'-fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonamide, Kinesin-like protein KIF11
Authors:Yokoyama, H, Katoh, S, Fujii, S.
Deposit date:2014-01-14
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of new allosteric inhibition in Kinesin spindle protein eg5
Acs Chem.Biol., 10, 2015
2OUJ
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BU of 2ouj by Molmil
The crystal structure of the Thrombospondin-1 N-terminal domain in complex with fractionated Heparin DP8
Descriptor: Thrombospondin-1
Authors:Tan, K, Joachimiak, A, Wang, J, Lawler, J.
Deposit date:2007-02-11
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Heparin-induced cis- and trans-Dimerization Modes of the Thrombospondin-1 N-terminal Domain.
J.Biol.Chem., 283, 2008
3SP8
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BU of 3sp8 by Molmil
Crystal structure of NK2 in complex with fractionated Heparin DP10
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Recacha, R, Mulloy, B, Gherardi, E.
Deposit date:2011-07-01
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of NK2 in complex with fractionated Heparin DP10
TO BE PUBLISHED
4ALA
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BU of 4ala by Molmil
Structure of Dengue virus DIII in complex with Fab 2H12
Descriptor: ENVELOPE PROTEIN, FAB 2H12 HEAVY CHAIN, FAB 2H12 LIGHT CHAIN, ...
Authors:Midgley, C.M, Flanagan, A, Mongkolsapaya, J, Grimes, J.M, Screaton, G.R.
Deposit date:2012-03-02
Release date:2012-06-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural Analysis of a Dengue Cross-Reactive Antibody Complexed with Envelope Domain III Reveals the Molecular Basis of Cross-Reactivity.
J.Immunol., 188, 2012
4AL8
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BU of 4al8 by Molmil
Structure of Dengue virus DIII in complex with Fab 2H12
Descriptor: ENVELOPE PROTEIN, FAB 2H12 HEAVY CHAIN, FAB 2H12 LIGHT CHAIN, ...
Authors:Midgley, C.M, Flanagan, A, Mongkolsapaya, J, Grimes, J.M, Screaton, G.R.
Deposit date:2012-03-02
Release date:2012-06-06
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural Analysis of a Dengue Cross-Reactive Antibody Complexed with Envelope Domain III Reveals the Molecular Basis of Cross-Reactivity.
J.Immunol., 188, 2012
4AM0
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BU of 4am0 by Molmil
Structure of Dengue virus strain 4 DIII in complex with Fab 2H12
Descriptor: ENVELOPE PROTEIN,, FAB 2H12, HEAVY CHAIN, ...
Authors:Midgley, C.M, Flanagan, A, Mongkolsapaya, J, Grimes, J.M, Screaton, G.R.
Deposit date:2012-03-06
Release date:2012-06-06
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Structural Analysis of a Dengue Cross-Reactive Antibody Complexed with Envelope Domain III Reveals the Molecular Basis of Cross-Reactivity.
J.Immunol., 188, 2012
2OUH
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BU of 2ouh by Molmil
Crystal structure of the Thrombospondin-1 N-terminal domain in complex with fractionated Heparin DP10
Descriptor: SULFATE ION, Thrombospondin-1
Authors:Tan, K, Joachimiak, A, Wang, J, Lawler, J.
Deposit date:2007-02-11
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Heparin-induced cis- and trans-Dimerization Modes of the Thrombospondin-1 N-terminal Domain.
J.Biol.Chem., 283, 2008
5E6V
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BU of 5e6v by Molmil
Re-refinement of the Crystal Structure of the Plexin-Semaphorin-Integrin Domain/Hybrid Domain/I-EGF1 Segment from the Human Integrin b2 Subunit
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin beta-2
Authors:Sen, M, Springer, T.A.
Deposit date:2015-10-10
Release date:2016-03-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Leukocyte integrin alpha L beta 2 headpiece structures: The alpha I domain, the pocket for the internal ligand, and concerted movements of its loops.
Proc.Natl.Acad.Sci.USA, 113, 2016
3AQJ
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BU of 3aqj by Molmil
Crystal Structure of a C-terminal domain of the bacteriophage P2 tail spike protein, gpV
Descriptor: Baseplate assembly protein V, CALCIUM ION, CHLORIDE ION, ...
Authors:Takeda, S, Yamashita, E, Nakagawa, A.
Deposit date:2010-11-06
Release date:2011-08-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:The host-binding domain of the P2 phage tail spike reveals a trimeric iron-binding structure
Acta Crystallogr.,Sect.F, 67, 2011
5H3Q
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BU of 5h3q by Molmil
Crystal Structure of TrkA kinase with ligand
Descriptor: 1-[(3S,4R)-4-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(5-ethoxy-4-methyl-2-phenyl-pyrazol-3-yl)urea, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, High affinity nerve growth factor receptor, ...
Authors:Noritaka, F.
Deposit date:2016-10-26
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The juxtamembrane region of TrkA kinase is critical for inhibitor selectivity
Bioorg. Med. Chem. Lett., 27, 2017
2ES3
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BU of 2es3 by Molmil
Crystal Structure of Thrombospondin-1 N-terminal Domain in P1 Form at 1.85A Resolution
Descriptor: Thrombospondin-1
Authors:Tan, K, Wang, J, Lawler, J.
Deposit date:2005-10-25
Release date:2006-10-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Heparin-induced cis- and trans-Dimerization Modes of the Thrombospondin-1 N-terminal Domain.
J.Biol.Chem., 283, 2008
7U1B
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BU of 7u1b by Molmil
Crystal structure of EstG in complex with tantalum cluster
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICINE, Beta-lactamase domain-containing protein, ...
Authors:Chen, Z, Gabelli, S.B.
Deposit date:2022-02-20
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
7U1C
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BU of 7u1c by Molmil
Structure of EstG crystalized with SO4 and Tris
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase domain-containing protein, SODIUM ION, ...
Authors:Gabelli, S.B, Chen, Z.
Deposit date:2022-02-20
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:EstG is a novel esterase required for cell envelope integrity in Caulobacter.
Curr.Biol., 33, 2023
6IQN
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BU of 6iqn by Molmil
Crystal structure of TrkA kinase with ligand
Descriptor: 4-[[4-azanyl-3-(4-cyclohexylpiperazin-1-yl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid, High affinity nerve growth factor receptor
Authors:Noritaka, F.
Deposit date:2018-11-08
Release date:2020-01-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:An isoform-selective inhibitor of tropomyosin receptor kinase A behaves as molecular glue.
Bioorg.Med.Chem.Lett., 30, 2020
7UFG
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BU of 7ufg by Molmil
Cryo-EM structure of PAPP-A in complex with IGFBP5
Descriptor: Insulin-like growth factor-binding protein 5, Pappalysin-1, ZINC ION
Authors:Judge, R.A, Jain, R, Hao, Q, Ouch, C, Sridar, J, Smith, C.L, Wang, J.C.K, Eaton, D.
Deposit date:2022-03-22
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Structure of the PAPP-ABP5 complex reveals mechanism of substrate recognition
Nat Commun, 13, 2022
7UQ0
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BU of 7uq0 by Molmil
Putative periplasmic iron siderophore binding protein FecB (Rv3044) from Mycobacterium tuberculosis
Descriptor: CITRIC ACID, GLYCEROL, PENTAETHYLENE GLYCOL, ...
Authors:Chao, A, Cuthbert, B.J, Goulding, C.W.
Deposit date:2022-04-18
Release date:2022-10-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Differentiating the roles of Mycobacterium tuberculosis substrate binding proteins, FecB and FecB2, in iron uptake.
Plos Pathog., 19, 2023

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