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4R8Y
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BU of 4r8y by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
分子名称: (2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P, Caldwell, J.P, Strickland, C.
登録日2014-09-03
公開日2014-11-05
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4QS8
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BU of 4qs8 by Molmil
Arabidopsis Hexokinase 1 (AtHXK1) structure in ligand-free form
分子名称: Hexokinase-1
著者Feng, J, Zhao, S, Liu, L.
登録日2014-07-03
公開日2015-02-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Biochemical and structural study of Arabidopsis hexokinase 1
Acta Crystallogr.,Sect.D, 71, 2015
5HD0
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BU of 5hd0 by Molmil
BACE-1 in complex with (7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-6-(5-fluoropyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 3-{5-[(2E,4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P.
登録日2016-01-04
公開日2016-03-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
5HDU
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BU of 5hdu by Molmil
BACE-1 incomplex with (7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 3-{5-[(2E,4aR,7aR)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
5HDV
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BU of 5hdv by Molmil
BACE-1 incomplex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 5-[(2E,4aR,7aR)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
4R92
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BU of 4r92 by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(isonicotinamido)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide
著者Orth, P, Strickland, C, Caldwell, J.P.
登録日2014-09-03
公開日2014-11-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4QS9
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BU of 4qs9 by Molmil
Arabidopsis Hexokinase 1 (AtHXK1) mutant S177A structure in glucose-bound form
分子名称: Hexokinase-1, beta-D-glucopyranose
著者Feng, J, Zhao, S, Liu, L.
登録日2014-07-03
公開日2015-02-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献Biochemical and structural study of Arabidopsis hexokinase 1
Acta Crystallogr.,Sect.D, 71, 2015
5HE5
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BU of 5he5 by Molmil
BACE-1 in complex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylamino)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
4JBA
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BU of 4jba by Molmil
Crystal Structure of the Oxidized Form of MarR from E.coli
分子名称: Multiple antibiotic resistance protein MarR
著者Lou, H, Zhu, R, Hao, Z.
登録日2013-02-19
公開日2013-10-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The multiple antibiotic resistance regulator MarR is a copper sensor in Escherichia coli.
Nat.Chem.Biol., 10, 2014
1M2S
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BU of 1m2s by Molmil
Solution Structure of A New Potassium Channels Blocker from the Venom of Chinese Scorpion Buthus martensi Karsch
分子名称: Toxin BmTX3
著者Wang, Y, Li, M, Zhang, N, Wu, G, Hu, G, Wu, H.
登録日2002-06-25
公開日2004-04-06
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献The solution structure of BmTx3B, a member of the scorpion toxin subfamily alpha-KTx 16
Proteins, 58, 2005
4R93
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BU of 4r93 by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-1-methyl-5-oxo-4-(((1S,3R)-3-(3-phenylureido)cyclohexyl)methyl)imidazolidin-2-iminium
分子名称: 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P, Strickland, C, Caldwell, J.P.
登録日2014-09-03
公開日2014-11-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4QS7
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BU of 4qs7 by Molmil
Arabidopsis Hexokinase 1 (AtHXK1) structure in glucose-bound form
分子名称: Hexokinase-1, beta-D-glucopyranose
著者Feng, J, Zhao, S, Liu, L.
登録日2014-07-03
公開日2015-02-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Biochemical and structural study of Arabidopsis hexokinase 1
Acta Crystallogr.,Sect.D, 71, 2015
4R91
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BU of 4r91 by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(cyclopentylamino)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
分子名称: (2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P, Caldwell, J.P, Strickland, C.
登録日2014-09-03
公開日2014-11-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
3WBB
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BU of 3wbb by Molmil
Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum
分子名称: Diaminopimelate dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
登録日2013-05-14
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
6X3K
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BU of 6x3k by Molmil
Hsa Siglec and Unique domains in complex with 6S-sialy-Lewisx
分子名称: N-acetyl-alpha-neuraminic acid, SODIUM ION, Streptococcal hemagglutinin, ...
著者Stubbs, H.E, Iverson, T.M.
登録日2020-05-21
公開日2021-05-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation.
Nat Commun, 13, 2022
6X3Q
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BU of 6x3q by Molmil
Hsa Siglec and Unique domains in complex with 3'sialyl-N-acetyllactosamine trisaccharide
分子名称: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Streptococcal hemagglutinin
著者Stubbs, H.E, Iverson, T.M.
登録日2020-05-21
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Origins of glycan selectivity in streptococcal Siglec-like adhesins suggest mechanisms of receptor adaptation.
Nat Commun, 13, 2022
6PEB
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BU of 6peb by Molmil
Crystal Structure of human NAMPT in complex with NVP-LTM976
分子名称: N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Weihofen, W.A.
登録日2019-06-20
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Scaffold Morphing Identifies 3-Pyridyl Azetidine Ureas as Inhibitors of Nicotinamide Phosphoribosyltransferase (NAMPT).
Acs Med.Chem.Lett., 10, 2019
6XTG
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BU of 6xtg by Molmil
Ab 1116NS19.9 bound to CA19-9
分子名称: 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, ...
著者Diskin, R, Borenstein-Katz, A.
登録日2020-01-16
公開日2021-01-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
分子名称: GLYCEROL, Heavy chain, Light chain, ...
著者Diskin, R, Borenstein-Katz, A.
登録日2020-01-20
公開日2021-02-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献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
分子名称: GLYCEROL, Heavy chain, Light chain, ...
著者Diskin, R, Borenstein-Katz, A.
登録日2020-01-20
公開日2021-02-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Biomolecular Recognition of the Glycan Neoantigen CA19-9 by Distinct Antibodies.
J.Mol.Biol., 433, 2021
6XUD
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BU of 6xud by Molmil
Apo Ab 1116NS19.9
分子名称: Heavy chain, Light chain
著者Diskin, R, Borenstein-Katz, A.
登録日2020-01-19
公開日2021-01-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献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
分子名称: Heavy chain, Light chain
著者Diskin, R, Borenstein-Katz, A.
登録日2020-01-20
公開日2021-02-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Biomolecular Recognition of the Glycan Neoantigen CA19-9 by Distinct Antibodies.
J.Mol.Biol., 433, 2021
6PLE
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BU of 6ple by Molmil
Crystal structure of MhuD R26S mutant in complex with biliverdin
分子名称: BILIVERDINE IX ALPHA, Heme oxygenase (mycobilin-producing)
著者Chao, A, Goulding, C.W.
登録日2019-06-30
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of aMycobacterium tuberculosisHeme-Degrading Protein, MhuD, Variant in Complex with Its Product.
Biochemistry, 58, 2019
9IV3
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BU of 9iv3 by Molmil
Crystal structure of CcmS-CcmK1 complex from Synechocystis sp. PCC 6803
分子名称: Carboxysome shell protein CcmK1, Slr1911 protein
著者Li, J, Deng, J.X, Jiang, Y.L, Zhou, C.Z.
登録日2024-07-22
公開日2025-03-12
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Assembly mechanism of beta-carboxysome shell mediated by the chaperone CcmS
To Be Published
3UIM
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BU of 3uim by Molmil
Structural basis for the impact of phosphorylation on plant receptor-like kinase BAK1 activation
分子名称: BRASSINOSTEROID INSENSITIVE 1-associated receptor kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Lou, Z.Y, Yan, L.M, Ma, Y.Y.
登録日2011-11-05
公開日2012-05-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the impact of phosphorylation on the activation of plant receptor-like kinase BAK1
Cell Res., 22, 2012

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件を2025-07-09に公開中

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