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5X2B
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BU of 5x2b by Molmil
Crystal structure of mouse sulfotransferase SULT7A1 complexed with PAP
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, CALCIUM ION, GLYCEROL, ...
Authors:Kanekiyo, M, Teramoto, T, Kakuta, Y.
Deposit date:2017-01-31
Release date:2018-03-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure of mouse sulfotransferase SULT7A1 complexed with PAP
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
5K9K
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BU of 5k9k by Molmil
Crystal structure of multidonor HV6-1-class broadly neutralizing Influenza A antibody 56.a.09 in complex with Hemagglutinin Hong Kong 1968.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 56.a.09 Heavy chain, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-31
Release date:2016-12-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
5KAQ
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BU of 5kaq by Molmil
Crystal structure of broadly neutralizing Influenza A antibody 31.a.83 in complex with Hemagglutinin Hong Kong 1968.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 31.A.83 FAB HEAVY CHAIN, ANTIBODY 31.A.83 FAB LIGHT CHAIN, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-06-01
Release date:2017-02-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.514 Å)
Cite:Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
5VGJ
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BU of 5vgj by Molmil
Crystal Structure of the Human Fab VRC38.01, an HIV-1 V1V2-Directed Neutralizing Antibody Isolated from Donor N90, bound to a scaffolded WITO V1V2 domain
Descriptor: 1FD6-V1V2-WITO, 2-acetamido-2-deoxy-beta-D-glucopyranose, VRC38.01 Fab Heavy Chain, ...
Authors:Gorman, J, Li, J, Kwong, P.D.
Deposit date:2017-04-11
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.456 Å)
Cite:Virus-like Particles Identify an HIV V1V2 Apex-Binding Neutralizing Antibody that Lacks a Protruding Loop.
Immunity, 46, 2017
5K9O
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BU of 5k9o by Molmil
Crystal structure of multidonor HV1-18+HD3-9 class broadly neutralizing Influenza A antibody 31.b.09 in complex with Hemagglutinin H1 A/California/04/2009
Descriptor: 31.b.09 Heavy Fv, 31.b.09 Light Fv, Hemagglutinin, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-06-01
Release date:2016-12-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.387 Å)
Cite:Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
5K9Q
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BU of 5k9q by Molmil
Crystal structure of multidonor HV1-18-class broadly neutralizing Influenza A antibody 16.a.26 in complex with A/Hong Kong/1-4-MA21-1/1968 (H3N2) Hemagglutinin
Descriptor: 16.a.26 Heavy chain, 16.a.26 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-06-01
Release date:2016-11-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell(Cambridge,Mass.), 166, 2016
6KQT
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BU of 6kqt by Molmil
Crystal Structure of GH136 lacto-N-biosidase from Eubacterium ramulus - native protein
Descriptor: SODIUM ION, TRIETHYLENE GLYCOL, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yamada, C, Arakawa, T, Pichler, M.J, Abou Hachem, M, Fushinobu, S.
Deposit date:2019-08-18
Release date:2020-06-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Butyrate producing colonic Clostridiales metabolise human milk oligosaccharides and cross feed on mucin via conserved pathways.
Nat Commun, 11, 2020
6KQS
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BU of 6kqs by Molmil
Crystal Structure of GH136 lacto-N-biosidase from Eubacterium ramulus - selenomethionine derivative
Descriptor: GLYCEROL, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, lacto-N-biosidase
Authors:Yamada, C, Arakawa, T, Pichler, M.J, Abou Hachem, M, Fushinobu, S.
Deposit date:2019-08-18
Release date:2020-06-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Butyrate producing colonic Clostridiales metabolise human milk oligosaccharides and cross feed on mucin via conserved pathways.
Nat Commun, 11, 2020
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
4FC0
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BU of 4fc0 by Molmil
Crystal Structure of Human Kinase Domain of B-raf with a DFG-out Inhibitor
Descriptor: 2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide, Serine/threonine-protein kinase B-raf
Authors:Yano, J.K, Aertgeerts, K.
Deposit date:2012-05-23
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 3. Evaluation of 5-amino-linked thiazolo[5,4-d]pyrimidine and thiazolo[5,4-b]pyridine derivatives.
Bioorg.Med.Chem., 20, 2012
6KAL
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BU of 6kal by Molmil
Crystal structure of FKRP in complex with Mg ion and CMP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTIDINE-5'-MONOPHOSPHATE, Fukutin-related protein, ...
Authors:Kuwabara, N.
Deposit date:2019-06-23
Release date:2020-01-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of fukutin-related protein (FKRP), a ribitol-phosphate transferase related to muscular dystrophy.
Nat Commun, 11, 2020
6KAN
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BU of 6kan by Molmil
Crystal structure of FKRP in complex with Ba ion
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BARIUM ION, Fukutin-related protein, ...
Authors:Kuwabara, N.
Deposit date:2019-06-23
Release date:2020-01-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Crystal structures of fukutin-related protein (FKRP), a ribitol-phosphate transferase related to muscular dystrophy.
Nat Commun, 11, 2020
6L7U
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BU of 6l7u by Molmil
Crystal structure of FKRP in complex with Ba ion, Ba-SAD data
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BARIUM ION, Fukutin-related protein, ...
Authors:Kuwabara, N.
Deposit date:2019-11-03
Release date:2020-01-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal structures of fukutin-related protein (FKRP), a ribitol-phosphate transferase related to muscular dystrophy.
Nat Commun, 11, 2020
5K9J
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BU of 5k9j by Molmil
Crystal structure of multidonor HV6-1-class broadly neutralizing Influenza A antibody 56.a.09 isolated following H5 immunization.
Descriptor: 56.a.09 heavy chain, 56.a.09 light chain, POLYETHYLENE GLYCOL (N=34)
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-31
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
5KAN
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BU of 5kan by Molmil
Crystal structure of multidonor HV1-18-class broadly neutralizing Influenza A antibody 16.g.07 in complex with A/Hong Kong/1-4-MA21-1/1968 (H3N2) Hemagglutinin
Descriptor: 16.g.07 Heavy chain, 16.g.07 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
Deposit date:2016-06-01
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.785 Å)
Cite:Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell(Cambridge,Mass.), 166, 2016
5DH4
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BU of 5dh4 by Molmil
PDE10 complexed with 5-chloro-N-[(2,4-dimethylthiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
Descriptor: 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, 5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine, MAGNESIUM ION, ...
Authors:Yan, Y.
Deposit date:2015-08-29
Release date:2016-01-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.
Bioorg.Med.Chem.Lett., 26, 2016
1CYD
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BU of 1cyd by Molmil
CARBONYL REDUCTASE COMPLEXED WITH NADPH AND 2-PROPANOL
Descriptor: CARBONYL REDUCTASE, ISOPROPYL ALCOHOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Tanaka, N, Nonaka, T, Mitsui, Y.
Deposit date:1995-09-01
Release date:1996-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the ternary complex of mouse lung carbonyl reductase at 1.8 A resolution: the structural origin of coenzyme specificity in the short-chain dehydrogenase/reductase family.
Structure, 4, 1996
1BJN
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BU of 1bjn by Molmil
STRUCTURE OF PHOSPHOSERINE AMINOTRANSFERASE FROM ESCHERICHIA COLI
Descriptor: PHOSPHOSERINE AMINOTRANSFERASE
Authors:Hester, G, Moser, M, Jansonius, J.N.
Deposit date:1998-06-25
Release date:1998-11-04
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of phosphoserine aminotransferase from Escherichia coli at 2.3 A resolution: comparison of the unligated enzyme and a complex with alpha-methyl-l-glutamate.
J.Mol.Biol., 286, 1999

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