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1GEJ
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BU of 1gej by Molmil
STRUCTURAL CHARACTERIZATION OF N-BUTYL-ISOCYANIDE COMPLEXES OF CYTOCHROMES P450NOR AND P450CAM
Descriptor: CYTOCHROME P450 55A1, N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE
Authors:lee, D.-S, Park, S.-Y, Yamane, K, Shiro, Y.
Deposit date:2000-11-13
Release date:2000-12-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural characterization of n-butyl-isocyanide complexes of cytochromes P450nor and P450cam.
Biochemistry, 40, 2001
1GEI
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BU of 1gei by Molmil
STRUCTURAL CHARACTERIZATION OF N-BUTYL-ISOCYANIDE COMPLEXES OF CYTOCHROMES P450NOR AND P450CAM
Descriptor: CYTOCHROME P450 55A1, N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, D.-S, Park, S.-Y, Yamane, K, Shiro, Y.
Deposit date:2000-11-13
Release date:2000-11-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural characterization of n-butyl-isocyanide complexes of cytochromes P450nor and P450cam.
Biochemistry, 40, 2001
5VP0
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BU of 5vp0 by Molmil
Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders
Descriptor: MAGNESIUM ION, N-{(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, ZINC ION, ...
Authors:Hoffman, I.D.
Deposit date:2017-05-03
Release date:2017-08-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Clinical Candidate N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915): A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders.
J. Med. Chem., 60, 2017
2ROO
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BU of 2roo by Molmil
Solution structure of Magi4, a spider toxin from Macrothele gigas
Descriptor: Neurotoxin magi-4
Authors:Yamaji, N.
Deposit date:2008-04-04
Release date:2009-04-07
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Chemical synthesis and solution structure of a spider toxin that affects the inactivation of mammalian sodium channels
To be Published
4PPH
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BU of 4pph by Molmil
Crystal structure of conglutin gamma, a unique basic 7S globulin from lupine seeds
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Czubinski, J, Barciszewski, J, Gilski, M, Lampart-Szczapa, E, Jaskolski, M.
Deposit date:2014-02-27
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Structure of gamma-conglutin: insight into the quaternary structure of 7S basic globulins from legumes.
Acta Crystallogr.,Sect.D, 71, 2015
6JXI
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BU of 6jxi by Molmil
Rb+-bound E2-MgF state of the gastric proton pump (Tyr799Trp)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Abe, K, Irie, K.
Deposit date:2019-04-23
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A single K + -binding site in the crystal structure of the gastric proton pump.
Elife, 8, 2019
6JXH
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BU of 6jxh by Molmil
K+-bound E2-MgF state of the gastric proton pump (Tyr799Trp)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Abe, K, Irie, K.
Deposit date:2019-04-23
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A single K + -binding site in the crystal structure of the gastric proton pump.
Elife, 8, 2019
6JXJ
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BU of 6jxj by Molmil
Rb+-bound E2-AlF state of the gastric proton pump (Tyr799Trp)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Abe, K, Irie, K.
Deposit date:2019-04-23
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A single K + -binding site in the crystal structure of the gastric proton pump.
Elife, 8, 2019
5VP1
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BU of 5vp1 by Molmil
Discovery of Clinical Candidate N-{(1S)-1-[3-Fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl}-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), A Highly Potent, Selective, and Brain-Penetrating Phosphodiesterase 2A Inhibitor for the Treatment of Cognitive Disorders
Descriptor: MAGNESIUM ION, N-{(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl}-6-methyl-5-(3-methyl-1H-1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, ZINC ION, ...
Authors:Hoffman, I.D.
Deposit date:2017-05-03
Release date:2017-12-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of a Novel Series of Pyrazolo[1,5-a]pyrimidine-Based Phosphodiesterase 2A Inhibitors Structurally Different from N-((1S)-1-(3-Fluoro-4-(trifluoromethoxy)phenyl)-2-methoxyethyl)-7-methoxy-2-oxo-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide (TAK-915), for the Treatment of Cognitive Disorders.
Chem. Pharm. Bull., 65, 2017
5ZFV
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BU of 5zfv by Molmil
Structure of the ExbB/ExbD pentameric complex (ExbB5ExbD1TM)
Descriptor: 22-mer peptide from Biopolymer transport protein ExbD, Biopolymer transport protein ExbB
Authors:Yonekura, K, Yamashita, Y, Matsuoka, R, Maki-Yonekura, S.
Deposit date:2018-03-07
Release date:2018-05-09
Method:ELECTRON MICROSCOPY (7.1 Å)
Cite:Hexameric and pentameric complexes of the ExbBD energizer in the Ton system.
Elife, 7, 2018
6DUY
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BU of 6duy by Molmil
Crystal structure of the alpha-N-catenin actin-binding domain H1 mutant
Descriptor: Catenin alpha-2
Authors:Ishiyama, N, Ikura, M.
Deposit date:2018-06-22
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Force-dependent allostery of the alpha-catenin actin-binding domain controls adherens junction dynamics and functions.
Nat Commun, 9, 2018
6XUD
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BU of 6xud by Molmil
Apo Ab 1116NS19.9
Descriptor: Heavy chain, Light chain
Authors:Diskin, R, Borenstein-Katz, A.
Deposit date:2020-01-19
Release date:2021-01-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Biomolecular Recognition of the Glycan Neoantigen CA19-9 by Distinct Antibodies.
J.Mol.Biol., 433, 2021
6XUL
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BU of 6xul by Molmil
Apo Ab 5b1
Descriptor: Heavy chain, Light chain
Authors:Diskin, R, Borenstein-Katz, A.
Deposit date:2020-01-20
Release date:2021-02-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Biomolecular Recognition of the Glycan Neoantigen CA19-9 by Distinct Antibodies.
J.Mol.Biol., 433, 2021
6XUK
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BU of 6xuk by Molmil
AbLIFT design 15 of Ab 1116NS19.9
Descriptor: GLYCEROL, Heavy chain, Light chain, ...
Authors:Diskin, R, Borenstein-Katz, A.
Deposit date:2020-01-20
Release date:2021-02-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Biomolecular Recognition of the Glycan Neoantigen CA19-9 by Distinct Antibodies.
J.Mol.Biol., 433, 2021
6XTG
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BU of 6xtg by Molmil
Ab 1116NS19.9 bound to CA19-9
Descriptor: Heavy chain, Light chain, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Diskin, R, Borenstein-Katz, A.
Deposit date:2020-01-16
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biomolecular Recognition of the Glycan Neoantigen CA19-9 by Distinct Antibodies.
J.Mol.Biol., 433, 2021
6XUN
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BU of 6xun by Molmil
Ab 5b1 bound to CA19-9
Descriptor: GLYCEROL, Heavy chain, Light chain, ...
Authors:Diskin, R, Borenstein-Katz, A.
Deposit date:2020-01-20
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Biomolecular Recognition of the Glycan Neoantigen CA19-9 by Distinct Antibodies.
J.Mol.Biol., 433, 2021
6DUW
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BU of 6duw by Molmil
Crystal structure of the alpha-N-catenin actin-binding domain H1 mutant
Descriptor: Catenin alpha-2
Authors:Ishiyama, N, Ikura, M.
Deposit date:2018-06-22
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Force-dependent allostery of the alpha-catenin actin-binding domain controls adherens junction dynamics and functions.
Nat Commun, 9, 2018
6DV1
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BU of 6dv1 by Molmil
Crystal structure of the alpha-E-catenin actin-binding domain
Descriptor: BROMIDE ION, Catenin alpha-1, SULFATE ION
Authors:Ishiyama, N, Ikura, M.
Deposit date:2018-06-22
Release date:2018-12-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Force-dependent allostery of the alpha-catenin actin-binding domain controls adherens junction dynamics and functions.
Nat Commun, 9, 2018
4BGD
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BU of 4bgd by Molmil
Crystal structure of Brr2 in complex with the Jab1/MPN domain of Prp8
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Nguyen, T.H.D, Li, J, Nagai, K.
Deposit date:2013-03-25
Release date:2013-05-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis of Brr2-Prp8 Interactions and Implications for U5 Snrnp Biogenesis and the Spliceosome Active Site
Structure, 21, 2013
7PVD
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BU of 7pvd by Molmil
Structure of the membrane soluble spike complex from the Lassa virus in a C1-symmetric map focused on the ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein G2, ...
Authors:Diskin, R, Katz, M.
Deposit date:2021-10-02
Release date:2021-12-29
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure and receptor recognition by the Lassa virus spike complex.
Nature, 603, 2022
7PUY
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BU of 7puy by Molmil
Structure of the membrane soluble spike complex from the Lassa virus in a C3-symmetric map
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein G2, ...
Authors:Diskin, R, Katz, M.
Deposit date:2021-10-01
Release date:2021-12-29
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure and receptor recognition by the Lassa virus spike complex.
Nature, 603, 2022
1HQC
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BU of 1hqc by Molmil
STRUCTURE OF RUVB FROM THERMUS THERMOPHILUS HB8
Descriptor: ADENINE, MAGNESIUM ION, RUVB
Authors:Yamada, K, Kunishima, N, Mayanagi, K, Iwasaki, H, Morikawa, K.
Deposit date:2000-12-15
Release date:2001-02-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the Holliday junction migration motor protein RuvB from Thermus thermophilus HB8.
Proc.Natl.Acad.Sci.USA, 98, 2001
1AHH
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BU of 1ahh by Molmil
7 ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEXED WITH NAD+
Descriptor: 7 ALPHA-HYDROXYSTEROID DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Tanaka, N, Nonaka, T, Mitsui, Y.
Deposit date:1995-08-25
Release date:1996-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of the binary and ternary complexes of 7 alpha-hydroxysteroid dehydrogenase from Escherichia coli.
Biochemistry, 35, 1996
5THA
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BU of 5tha by Molmil
Gemin5 WD40 repeats in complex with a guanosyl moiety
Descriptor: DIGUANOSINE-5'-TRIPHOSPHATE, Gem-associated protein 5, UNKNOWN ATOM OR ION
Authors:Chao, X, Tempel, W, Bian, C, Cerovina, T, He, H, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2016-09-29
Release date:2016-10-19
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly.
Genes Dev., 30, 2016
5TEE
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BU of 5tee by Molmil
Crystal structure of Gemin5 WD40 repeats in apo form
Descriptor: GLYCEROL, Gem-associated protein 5, SODIUM ION, ...
Authors:Chao, X, Tempel, W, Bian, C, Cerovina, T, He, H, Walker, J.R, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2016-09-21
Release date:2016-10-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly.
Genes Dev., 30, 2016

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