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2VO9
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BU of 2vo9 by Molmil
CRYSTAL STRUCTURE OF THE ENZYMATICALLY ACTIVE DOMAIN OF THE LISTERIA MONOCYTOGENES BACTERIOPHAGE 500 ENDOLYSIN PLY500
分子名称: L-ALANYL-D-GLUTAMATE PEPTIDASE, SULFATE ION, ZINC ION
著者Korndoerfer, I.P, Kanitz, A, Skerra, A.
登録日2008-02-09
公開日2008-02-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Analysis of the L-Alanoyl-D-Glutamate Endopeptidase Domain of Listeria Bacteriophage Endolysin Ply500 Reveals a New Member of the Las Peptidase Family.
Acta Crystallogr.,Sect.D, 64, 2008
3MY7
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BU of 3my7 by Molmil
The Crystal Structure of the ACDH domain of an Alcohol Dehydrogenase from Vibrio parahaemolyticus to 2.25A
分子名称: Alcohol dehydrogenase/acetaldehyde dehydrogenase, CHLORIDE ION
著者Stein, A.J, Weger, A, Volkart, L, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-05-10
公開日2010-06-02
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Crystal Structure of the ACDH domain of an Alcohol Dehydrogenase from Vibrio parahaemolyticus to 2.25A
To be Published
2ZO6
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BU of 2zo6 by Molmil
Crystal Structure of Kusabira-Cyan (KCY), a Cyan-Emitting GFP-Like Protein
分子名称: CYAN-EMITTING GFP-LIKE PROTEIN, KUSABIRA-CYAN (KCY)
著者Kikuchi, A, Fukumura, E, Karasawa, S, Miyawaki, A, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2008-05-06
公開日2009-05-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of a new cyan fluorescent protein and its hue-shifted variants
Biochemistry, 48, 2009
2W53
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Structure of SmeT, the repressor of the Stenotrophomonas maltophilia multidrug efflux pump SmeDEF.
分子名称: REPRESSOR, SULFATE ION
著者Mate, M.J, Romero, A, Hernandez, A, Martinez, J.L.
登録日2008-12-04
公開日2009-04-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Functional Analysis of Smet, the Repressor of the Stenotrophomonas Maltophilia Multidrug Efflux Pump Smedef.
J.Biol.Chem., 284, 2009
5MHH
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BU of 5mhh by Molmil
Crystal structure of engineered human lipocalin 2 carrying p-boronophenylalanine at position 36
分子名称: Neutrophil gelatinase-associated lipocalin, SULFATE ION
著者Skerra, A, Eichinger, A.
登録日2016-11-24
公開日2017-10-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rational Design of an Anticalin-Type Sugar-Binding Protein Using a Genetically Encoded Boronate Side Chain.
ACS Synth Biol, 6, 2017
8BRO
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Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with a synthetic beta-fucosylamide
分子名称: 5-[3-(aminomethyl)phenyl]-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide, Lectin
著者Varrot, A, Lunstrom, J.
登録日2022-11-23
公開日2023-02-08
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification of New L-Fucosyl and L-Galactosyl Amides as Glycomimetic Ligands of TNF Lectin Domain of BC2L-C from Burkholderia cenocepacia.
Molecules, 28, 2023
5FHT
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HtrA2 protease mutant V226K
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, POTASSIUM ION, ...
著者Golik, P, Dubin, G, Zurawa-Janicka, D, Lipinska, B, Jarzab, M, Wenta, T, Gieldon, A, Ciarkowski, A.
登録日2015-12-22
公開日2016-09-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Distinct 3D Architecture and Dynamics of the Human HtrA2(Omi) Protease and Its Mutated Variants.
Plos One, 11, 2016
5MBH
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BU of 5mbh by Molmil
Structure of a bacterial light-regulated adenylyl cyclase
分子名称: Beta subunit of photoactivated adenylyl cyclase, FLAVIN MONONUCLEOTIDE
著者Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I.
登録日2016-11-08
公開日2017-04-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
8BEW
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Cryo-EM structure of the electron bifurcating Fe-Fe hydrogenase HydABC complex from Thermoanaerobacter kivui in the oxidised state
分子名称: Electron bifurcating hydrogenase subunit HydA1, Electron bifurcating hydrogenase subunit HydB, Electron bifurcating hydrogenase subunit HydC, ...
著者Kumar, A, Schuller, J.M.
登録日2022-10-22
公開日2023-02-15
最終更新日2023-03-29
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
J.Am.Chem.Soc., 145, 2023
5MQJ
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BU of 5mqj by Molmil
Crystal structure of dCK mutant C3S
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Deoxycytidine kinase, MAGNESIUM ION, ...
著者Saez-Ayala, M, Rebuffet, E, Hammam, K, Gros, L, Lopez, S, Hajem, B, Humbert, M, Baudelet, E, Audebert, S, Betzi, S, Lugari, A, Combes, S, Pez, D, Letard, S, Mansfield, C, Moussy, A, de Sepulveda, P, Morelli, X, Dubreuil, P.
登録日2016-12-20
公開日2017-11-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Dual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology.
Nat Commun, 8, 2017
3MZZ
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BU of 3mzz by Molmil
Crystal Structure of Rhodanese-like Domain Protein from Staphylococcus aureus
分子名称: Rhodanese-like domain protein
著者Kim, Y, Chruszcz, M, Minor, W, Edwards, A, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2010-05-13
公開日2010-06-30
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Rhodanese-like Domain Protein from Staphylococcus aureus
To be Published
5MRA
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BU of 5mra by Molmil
human SCBD (sorcin calcium binding domain) in complex with doxorubicin
分子名称: DIMETHYL SULFOXIDE, DOXORUBICIN, MAGNESIUM ION, ...
著者Ilari, A, Fiorillo, A, Colotti, G, Genovese, I.
登録日2016-12-22
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.74 Å)
主引用文献Binding of doxorubicin to Sorcin impairs cell death and increases drug resistance in cancer cells.
Cell Death Dis, 8, 2017
4NHS
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BU of 4nhs by Molmil
X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (9 days)
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A.
登録日2013-11-05
公開日2014-09-17
最終更新日2015-06-24
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
5NBW
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BU of 5nbw by Molmil
Crystal structure of the Fab fragment 22F12 in complex with 3-hydroxybenzo[a]pyrene
分子名称: Fab 22F12 (A,B), Fab 22F12 (L,H), benzo[a]pyren-3-ol
著者Skerra, A, Eichinger, A.
登録日2017-03-02
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Tight Molecular Recognition of Benzo[a]pyrene by a High-Affinity Antibody.
Angew. Chem. Int. Ed. Engl., 56, 2017
4NIJ
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BU of 4nij by Molmil
X-ray structure of the complex between hen egg white lysozyme and pentachlorocarbonyliridate(III) (30 days)
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A.
登録日2013-11-06
公開日2014-09-17
最終更新日2015-06-24
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
7RR0
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BU of 7rr0 by Molmil
SARS-CoV-2 receptor binding domain bound to Fab PDI 222
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PDI 222 Fab Heavy Chain, PDI 222 Fab Light Chain, ...
著者Pymm, P, Glukhova, A, Black, K.A, Tham, W.H.
登録日2021-08-08
公開日2021-10-06
最終更新日2021-10-27
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain.
Cell Rep, 37, 2021
2W95
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BU of 2w95 by Molmil
STructure of the Discoidin I from Dictyostelium discoideum in complex with GalNAc at 1.75 angstrom resolution
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, ...
著者Saboia Aragao, K, Imberty, A, Varrot, A.
登録日2009-01-21
公開日2010-03-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discoidin I from Dictyostelium Discoideum and Interactions with Oligosaccharides: Specificity, Affinity, Crystal Structures and Comparison with Discoidin II.
J.Mol.Biol., 400, 2010
6YSJ
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BU of 6ysj by Molmil
Thrombin in complex with 2-amino-1-(4-bromophenyl)ethan-1-one (j10)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-1-(4-bromophenyl)ethanone, DIMETHYL SULFOXIDE, ...
著者Scanlan, W, Heine, A, Klebe, G, Abazi, N, Paulus, A.
登録日2020-04-22
公開日2021-05-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Thrombin in complex with 2-amino-1-(4-bromophenyl)ethan-1-one (j10)
To be published
2WF4
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BU of 2wf4 by Molmil
Human BACE-1 in complex with 6-ethyl-1-methyl-N-((1S)-2-oxo-1-(phenylmethyl)-3-(tetrahydro-2H-pyran-4-ylamino)propyl)-1,3,4,6- tetrahydro(1,2)thiazepino(5,4,3-cd)indole-8-carboxamide 2,2-dioxide
分子名称: BETA-SECRETASE 1, N-[(1S)-1-BENZYL-2,2-DIHYDROXY-3-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PROPYL]-6-ETHYL-1-METHYL-1,3,4,6-TETRAHYDRO[1,2]THIAZEPINO[5,4,3-CD]INDOLE-8-CARBOXAMIDE 2,2-DIOXIDE
著者Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2009-04-02
公開日2009-05-12
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Second Generation of Bace-1 Inhibitors Part 3: Towards Non Hydroxyethylamine Transition State Mimetics.
Bioorg.Med.Chem.Lett., 19, 2009
2W5N
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Native structure of the GH93 alpha-L-arabinofuranosidase of Fusarium graminearum
分子名称: 1,2-ETHANEDIOL, ALPHA-L-ARABINOFURANOSIDASE, GLYCEROL, ...
著者Carapito, R, Imberty, A, Jeltsch, J.M, Byrns, S.C, Tam, P.H, Lowary, T.L, Varrot, A, Phalip, V.
登録日2008-12-11
公開日2009-03-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular Basis of Arabinobio-Hydrolase Activity in Phytopathogenic Fungi. Crystal Structure and Catalytic Mechanism of Fusarium Graminearum Gh93 Exo-Alpha-L-Arabinanase.
J.Biol.Chem., 284, 2009
3MES
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BU of 3mes by Molmil
Crystal structure of choline kinase from Cryptosporidium parvum Iowa II, cgd3_2030
分子名称: ADENOSINE-5'-DIPHOSPHATE, Choline kinase, DECAMETHONIUM ION, ...
著者Qiu, W, Wernimont, A, Hills, T, Lew, J, Artz, J.D, Xiao, T, Allali-Hassani, A, Vedadi, M, Kozieradzki, I, Cossar, D, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Hui, R, Ma, D, Structural Genomics Consortium (SGC)
登録日2010-03-31
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of choline kinase from Cryptosporidium parvum Iowa II, cgd3_2030
TO BE PUBLISHED
5NO8
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BU of 5no8 by Molmil
Polysaccharide Lyase BACCELL_00875
分子名称: BACCELL_00875, GLYCEROL
著者Cartmell, A, Munoz-Munoz, J, Terrapon, N, Basle, A, Henrissat, B, Gilbert, H.J.
登録日2017-04-11
公開日2017-06-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An evolutionarily distinct family of polysaccharide lyases removes rhamnose capping of complex arabinogalactan proteins.
J. Biol. Chem., 292, 2017
2WF1
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Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl(methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-3,4- dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9-carboxamide 2,2- dioxide
分子名称: BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
著者Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2009-04-02
公開日2009-05-19
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Second Generation of Bace-1 Inhibitors Part 2: Optimisation of the Non-Prime Side Substituent.
Bioorg.Med.Chem.Lett., 19, 2009
4NHP
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BU of 4nhp by Molmil
X-ray structure of the complex between the hen egg white lysozyme and pentachlorocarbonyliridate (III) (4 days)
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
著者Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A.
登録日2013-11-05
公開日2014-09-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
2WF2
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Human BACE-1 in complex with 8-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-1-methyl-3,4,7, 8-tetrahydro-1H,6H-(1,2,5)thiadiazepino(5,4,3-de)quinoxaline-10- carboxamide 2,2-dioxide
分子名称: BETA-SECRETASE 1, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-8-ETHYL-1-METHYL-3,4,7,8-TETRAHYDRO-1H,6H-[1,2,5]THIADIAZEPINO[5,4,3-DE]QUINOXALINE-10-CARBOXAMIDE 2,2-DIOXIDE
著者Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2009-04-02
公開日2009-05-19
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Second Generation of Bace-1 Inhibitors Part 2: Optimisation of the Non-Prime Side Substituent.
Bioorg.Med.Chem.Lett., 19, 2009

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