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2DJJ
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BU of 2djj by Molmil
Solution structure of the a' domain of thermophilic fungal protein disulfide isomerase
Descriptor: Protein disulfide-isomerase
Authors:Kato, K, Yamaguchi, Y.
Deposit date:2006-04-04
Release date:2006-04-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the a' domain of thermophilic fungal protein disulfide isomerase
To be Published
2DJK
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BU of 2djk by Molmil
Solution structure of the b' domain of thermophilic fungal protein disulfide isomerase
Descriptor: Protein disulfide-isomerase
Authors:Kato, K, Yamaguchi, Y.
Deposit date:2006-04-04
Release date:2006-04-25
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the b' domain of thermophilic fungal protein disulfide isomerase
To be Published
1QQL
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BU of 1qql by Molmil
THE CRYSTAL STRUCTURE OF FIBROBLAST GROWTH FACTOR 7/1 CHIMERA
Descriptor: FIBROBLAST GROWTH FACTOR 7/1 CHIMERA
Authors:Ye, S, Luo, Y, Pelletier, H, McKeehan, W.L.
Deposit date:1999-06-07
Release date:2000-01-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for interaction of FGF-1, FGF-2, and FGF-7 with different heparan sulfate motifs.
Biochemistry, 40, 2001
1QQK
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BU of 1qqk by Molmil
THE CRYSTAL STRUCTURE OF FIBROBLAST GROWTH FACTOR 7 (KERATINOCYTE GROWTH FACTOR)
Descriptor: FIBROBLAST GROWTH FACTOR 7
Authors:Ye, S, Luo, Y, Pelletier, H, McKeehan, W.L.
Deposit date:1999-06-07
Release date:2000-01-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for interaction of FGF-1, FGF-2, and FGF-7 with different heparan sulfate motifs.
Biochemistry, 40, 2001
2YXZ
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BU of 2yxz by Molmil
Crystal structure of tt0281 from Thermus thermophilus HB8
Descriptor: Thiamin-monophosphate kinase
Authors:Goto, M.
Deposit date:2007-04-27
Release date:2008-04-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of tt0281 from Thermus thermophilus HB8
to be published
4DT2
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BU of 4dt2 by Molmil
Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment CC27209
Descriptor: (2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Feder, D, Hussein, W.M, Clayton, D.J, Kan, M, Schenk, G, McGeary, R.P, Guddat, L.W.
Deposit date:2012-02-20
Release date:2012-09-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Chem.Biol.Drug Des., 80, 2012
4DSY
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BU of 4dsy by Molmil
Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment CC24201
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-phenylpyridine-3-carboxylic acid, ...
Authors:Feder, D, Hussein, W.M, Clayton, D.J, Kan, M, Schenk, G, McGeary, R.P, Guddat, L.W.
Deposit date:2012-02-20
Release date:2012-09-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Chem.Biol.Drug Des., 80, 2012
6ZE8
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BU of 6ze8 by Molmil
Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound OATD-01
Descriptor: 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4H-1,2,4-triazol-3-amine, Chitotriosidase-1, GLYCEROL, ...
Authors:Nowotny, M, Bartlomiejczak, A, Napiorkowska-Gromadzka, A.
Deposit date:2020-06-16
Release date:2020-11-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of OATD-01 , a First-in-Class Chitinase Inhibitor as Potential New Therapeutics for Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 63, 2020
5WHZ
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BU of 5whz by Molmil
PGDM1400-10E8v4 CODV Fab
Descriptor: Anti-HIV CODV-Fab Heavy chain, Anti-HIV CODV-Fab Light chain
Authors:Lord, D.M, Wei, R.R.
Deposit date:2017-07-18
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.549 Å)
Cite:Trispecific broadly neutralizing HIV antibodies mediate potent SHIV protection in macaques.
Science, 358, 2017
6ZBA
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BU of 6zba by Molmil
Crystal structure of PDE4D2 in complex with inhibitor LEO39652
Descriptor: 1,2-ETHANEDIOL, 2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate, DIMETHYL SULFOXIDE, ...
Authors:Akutsu, M, Hakansson, M, Welin, M, Svensson, A, Logan, D.T, Sorensen, M.D.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Early Clinical Development of Isobutyl 1-[8-Methoxy-5-(1-oxo-3 H -isobenzofuran-5-yl)-[1,2,4]triazolo[1,5- a ]pyridin-2-yl]cyclopropanecarboxylate (LEO 39652), a Novel "Dual-Soft" PDE4 Inhibitor for Topical Treatment of Atopic Dermatitis.
J.Med.Chem., 63, 2020
8IBR
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BU of 8ibr by Molmil
Crystal structure of GH42 beta-galactosidase BiBga42A from Bifidobacterium longum subspecies infantis in complex with glycerol
Descriptor: Beta-galactosidase, DI(HYDROXYETHYL)ETHER, GLYCEROL
Authors:Hidaka, M, Fushinobu, S, Gotoh, A, Katayama, T.
Deposit date:2023-02-10
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substrate recognition mode of a glycoside hydrolase family 42 beta-galactosidase from Bifidobacterium longum subspecies infantis ( Bi Bga42A) revealed by crystallographic and mutational analyses.
Microbiome Res Rep, 2, 2023
8IBT
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BU of 8ibt by Molmil
Crystal structure of GH42 beta-galactosidase BiBga42A from Bifidobacterium longum subspecies infantis E318S mutant in complex with lacto-N-tetraose
Descriptor: Beta-galactosidase, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Hidaka, M, Fushinobu, S, Gotoh, A, Katayama, T.
Deposit date:2023-02-10
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate recognition mode of a glycoside hydrolase family 42 beta-galactosidase from Bifidobacterium longum subspecies infantis ( Bi Bga42A) revealed by crystallographic and mutational analyses.
Microbiome Res Rep, 2, 2023
8IBS
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BU of 8ibs by Molmil
Crystal structure of GH42 beta-galactosidase BiBga42A from Bifidobacterium longum subspecies infantis E160A/E318A mutant in complex with galactose
Descriptor: Beta-galactosidase, alpha-D-galactopyranose
Authors:Hidaka, M, Fushinobu, S, Gotoh, A, Katayama, T.
Deposit date:2023-02-10
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate recognition mode of a glycoside hydrolase family 42 beta-galactosidase from Bifidobacterium longum subspecies infantis ( Bi Bga42A) revealed by crystallographic and mutational analyses.
Microbiome Res Rep, 2, 2023
5W23
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BU of 5w23 by Molmil
Crystal Structure of RSV F in complex with 5C4 Fab
Descriptor: 5C4 Fab heavy chain, 5C4 Fab light chain, Fusion glycoprotein F0, ...
Authors:Battles, M.B, McLellan, J.S.
Deposit date:2017-06-05
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis of respiratory syncytial virus subtype-dependent neutralization by an antibody targeting the fusion glycoprotein.
Nat Commun, 8, 2017
5W24
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BU of 5w24 by Molmil
Crystal Structure of 5C4 Fab
Descriptor: (R,R)-2,3-BUTANEDIOL, 5C4 Fab Heavy Chain, 5C4 Fab Light Chain
Authors:Battles, M.B, McLellan, J.S, Taher, N.M.
Deposit date:2017-06-05
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of respiratory syncytial virus subtype-dependent neutralization by an antibody targeting the fusion glycoprotein.
Nat Commun, 8, 2017
6CDP
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BU of 6cdp by Molmil
Vaccine-elicited HIV-1 neutralizing antibody vFP20.01 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV-1 fusion peptide 512-519, SULFATE ION, vFP20.01 Fab heavy chain, ...
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.456 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
3E6F
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BU of 3e6f by Molmil
MHC CLASS I H-2Dd Heavy chain complexed with Beta-2 Microglobulin and a variant peptide, PA9, from the Human immunodeficiency virus (BaL) envelope glycoprotein 120
Descriptor: BETA-2 MICROGLOBULIN, Envelope glycoprotein 9-residue peptide, H-2 class I histocompatibility antigen, ...
Authors:Wang, R, Natarajan, K, Robinson, H, Margulies, D.H.
Deposit date:2008-08-15
Release date:2009-08-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Different vaccine vectors delivering the same antigen elicit CD8+ T cell responses with distinct clonotype and epitope specificity
J.Immunol., 183, 2009
3E6H
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BU of 3e6h by Molmil
MHC CLASS I H-2Dd heavy chain complexed with Beta-2 Microglobulin and a variant peptide, PI10, from the human immunodeficiency virus (BaL) envelope glycoprotein 120
Descriptor: Envelope glycoprotein 10-residue peptide, H-2 class I histocompatibility antigen, D-D alpha chain, ...
Authors:Wang, R, Natarajan, K, Robinson, H, Margulies, D.H.
Deposit date:2008-08-15
Release date:2009-08-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Different vaccine vectors delivering the same antigen elicit CD8+ T cell responses with distinct clonotype and epitope specificity
J.Immunol., 183, 2009
1KEG
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BU of 1keg by Molmil
Antibody 64M-2 Fab complexed with dTT(6-4)TT
Descriptor: 5'-D(*TP*(64T)P*TP*T)-3', Anti-(6-4) photoproduct antibody 64M-2 Fab (heavy chain), Anti-(6-4) photoproduct antibody 64M-2 Fab (light chain), ...
Authors:Yokoyama, H, Mizutani, R, Satow, Y, Sato, K, Komatsu, Y, Ohtsuka, E, Nikaido, O.
Deposit date:2001-11-15
Release date:2002-11-15
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the DNA (6-4) photoproduct dTT(6-4)TT in complex with the 64M-2 antibody Fab fragment implies increased antibody-binding affinity by the flanking nucleotides.
Acta Crystallogr.,Sect.D, 68, 2012
5W5O
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BU of 5w5o by Molmil
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases.
Descriptor: 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine, Receptor-interacting serine/threonine-protein kinase 2
Authors:Kreusch, A, Spraggon, G.
Deposit date:2017-06-15
Release date:2017-10-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
5W5J
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BU of 5w5j by Molmil
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases
Descriptor: N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION
Authors:Kreusch, A, Spraggon, G.
Deposit date:2017-06-15
Release date:2017-10-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
5WCC
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BU of 5wcc by Molmil
Crystal structure of the broadly neutralizing Influenza A antibody VRC 315 02-1F07 Fab.
Descriptor: GLYCEROL, POLYETHYLENE GLYCOL (N=34), SULFATE ION, ...
Authors:Joyce, M.G, Andrews, S.F, Mascola, J.R, McDermott, A.B, Kwong, P.D.
Deposit date:2017-06-29
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.461 Å)
Cite:Preferential induction of cross-group influenza A hemagglutinin stem-specific memory B cells after H7N9 immunization in humans.
Sci Immunol, 2, 2017
8I5I
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BU of 8i5i by Molmil
Crystal structure of SARS-CoV-2 delta variant spike receptor-binding domain (RBD) in complex with NCV2SG53 Fab
Descriptor: Fab Heavy chain, Fab Light chain, Spike protein S1
Authors:Yamamoto, A, Higashiura, A.
Deposit date:2023-01-25
Release date:2023-04-19
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023
8I5H
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BU of 8i5h by Molmil
Crystal structure of SARS-CoV-2 delta variant spike receptor-binding domain (RBD) in complex with NCV2SG48 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Heavy chain, Fab Light chain, ...
Authors:Yamamoto, A, Higashiura, A.
Deposit date:2023-01-25
Release date:2023-04-19
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural basis of spike RBM-specific human antibodies counteracting broad SARS-CoV-2 variants.
Commun Biol, 6, 2023
9FWG
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BU of 9fwg by Molmil
LSD1/CoREST bound to bomedemstat
Descriptor: Bomedemstat FAD adduct, Lysine-specific histone demethylase 1A, REST corepressor 1
Authors:Speranzini, V, Mattevi, A.
Deposit date:2024-06-30
Release date:2024-07-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Characterization of structural, biochemical, pharmacokinetic, and pharmacodynamic properties of the LSD1 inhibitor bomedemstat in preclinical models.
Prostate, 84, 2024

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