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6BAH
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Trastuzumab Fab v3 with 5-diphenyl meditope variant
分子名称: Immunoglobulin G binding protein A, Protein L, Trastuzumab Fab heavy chain,IGH@ protein, ...
著者Bzymek, K.P, King, J.D, Williams, J.C.
登録日2017-10-12
公開日2018-09-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Template-Catalyzed, Disulfide Conjugation of Monoclonal Antibodies Using a Natural Amino Acid Tag.
Bioconjug. Chem., 29, 2018
6BC6
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BU of 6bc6 by Molmil
Cryo X-ray structure of apo AAC-VIa
分子名称: AAC 3-VI protein, MAGNESIUM ION
著者Cuneo, M.J, Kumar, P.
登録日2017-10-20
公開日2018-02-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A low-barrier hydrogen bond mediates antibiotic resistance in a noncanonical catalytic triad.
Sci Adv, 4, 2018
4XBT
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BU of 4xbt by Molmil
Crystal Structure of the L74F/M78F/L103V/L114V/I116V/F139V/L147V mutant of LEH complexed with (S,S)-cyclohexanediol
分子名称: (1S,2S)-cyclohexane-1,2-diol, CITRATE ANION, Limonene-1,2-epoxide hydrolase
著者Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J.
登録日2014-12-17
公開日2015-07-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
4XBK
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BU of 4xbk by Molmil
2-deoxyribose-5-phosphate aldolase from Lactobacillus brevis
分子名称: ACETIC ACID, Deoxyribose-phosphate aldolase
著者Jiao, X.-C, Pan, J, Xu, G.-C, Kong, X.-D, Chen, Q, Zhang, Z.-J, Xu, J.-H.
登録日2014-12-17
公開日2015-11-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Efficient synthesis of a statin precursor in high space-time yield by a new aldehyde-tolerant aldolase identified from Lactobacillus brevis
Catalysis Science And Technology, 5, 2015
6APP
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BU of 6app by Molmil
Anti-Marburgvirus Nucleoprotein Single Domain Antibody A Complexed with Nucleoprotein C-terminal domain
分子名称: Anti-Marburgvirus Nucleoprotein Single Domain Antibody A, Nucleoprotein
著者Taylor, A.B, Garza, J.A.
登録日2017-08-17
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Unveiling a Drift Resistant Cryptotope withinMarburgvirusNucleoprotein Recognized by Llama Single-Domain Antibodies.
Front Immunol, 8, 2017
4XDV
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BU of 4xdv by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclohexanediol
分子名称: (1R,2R)-cyclohexane-1,2-diol, Limonene-1,2-epoxide hydrolase
著者Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J.
登録日2014-12-20
公開日2015-07-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
7BGX
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BU of 7bgx by Molmil
Mutant F105L of recombinant beta-lactoglobulin
分子名称: Beta-lactoglobulin, GLYCEROL, SULFATE ION
著者Loch, J.I, Wrobel, P, Lewinski, K.
登録日2021-01-08
公開日2021-01-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
7BTV
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BU of 7btv by Molmil
Crystal structure of EHMT2 SET domain in complex with compound 5.
分子名称: Histone-lysine N-methyltransferase EHMT2, N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine, S-ADENOSYLMETHIONINE, ...
著者Suzuki, M, Mizuno, T, Katayama, K.
登録日2020-04-03
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of novel histone lysine methyltransferase G9a/GLP (EHMT2/1) inhibitors: Design, synthesis, and structure-activity relationships of 2,4-diamino-6-methylpyrimidines.
Bioorg.Med.Chem.Lett., 30, 2020
6ATW
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BU of 6atw by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
分子名称: Chlorotoxin
著者Gewe, M.M, Rupert, P, Strong, R.K.
登録日2017-08-29
公開日2018-02-28
最終更新日2018-03-14
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
4XJ9
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BU of 4xj9 by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with Optactin at pH 5.0 in 50mM Sodium Acetate with DMSO as the cryoprotectant
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
著者Brear, P.
登録日2015-01-08
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
6AYD
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BU of 6ayd by Molmil
Pim1 complexed with N-(6-(4-hydroxyphenyl)-1H-indazol-3-yl)cyclopropanecarboxamide
分子名称: N-[6-(4-hydroxyphenyl)-2H-indazol-3-yl]cyclopropanecarboxamide, Serine/threonine-protein kinase pim-1
著者Shewchuk, L.M, Henley, Z.A.
登録日2017-09-08
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献From PIM1 to PI3K delta via GSK3 beta : Target Hopping through the Kinome.
ACS Med Chem Lett, 8, 2017
4XKJ
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BU of 4xkj by Molmil
a Novel D-lactate Dehydrogenase from Sporolactobacillus sp
分子名称: D-lactate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Bo, Y, Hui, D, Xiang, L.
登録日2015-01-12
公開日2015-08-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.148 Å)
主引用文献a Novel D-lactate Dehydrogenase from Sporolactobacillus sp
To Be Published
4XQM
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BU of 4xqm by Molmil
Crystal structure of the MRH domain of Glucosidase II beta bound to mannose
分子名称: Glucosidase 2 subunit beta, alpha-D-mannopyranose
著者Olson, L.J, Dahms, N.M, Kim, J.-J.P.
登録日2015-01-19
公開日2015-07-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.625 Å)
主引用文献Crystal Structure and Functional Analyses of the Lectin Domain of Glucosidase II: Insights into Oligomannose Recognition.
Biochemistry, 54, 2015
2J2I
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BU of 2j2i by Molmil
Crystal Structure of the humab PIM1 in complex with LY333531
分子名称: (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, SULFATE ION
著者Debreczeni, J.E, Bullock, A.N, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Weigelt, J, Knapp, S.
登録日2006-08-16
公開日2007-02-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases.
Proc. Natl. Acad. Sci. U.S.A., 104, 2007
4XOG
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BU of 4xog by Molmil
CRYSTAL STRUCTURE OF THE NANB SIALIDASE FROM STREPTOCOCCUS PNEUMONIAE IN COMPLEX WITH Optactin and DANA
分子名称: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, DIMETHYL SULFOXIDE, ...
著者Brear, P.
登録日2015-01-16
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XW6
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BU of 4xw6 by Molmil
X-ray structure of PKAc with ADP, free phosphate ion, CP20, magnesium ions
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A.
登録日2015-01-28
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT.
J.Biol.Chem., 290, 2015
6AZL
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BU of 6azl by Molmil
Structure of cetuximab with aminoheptanoic acid-linked N-carboxyethylarginine meditope variant
分子名称: SULFATE ION, cetuximab Fab heavy chain, cetuximab Fab light chain, ...
著者Bzymek, K.P, Williams, J.C.
登録日2017-09-11
公開日2017-12-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.482 Å)
主引用文献Meditope-Fab interaction: threading the hole.
Acta Crystallogr F Struct Biol Commun, 73, 2017
7BQY
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BU of 7bqy by Molmil
THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z.
登録日2020-03-26
公開日2020-04-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
4XBY
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BU of 4xby by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide
分子名称: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase
著者Kong, X.D, Sun, Z, Xu, J.H, Reetz, M.T, Zhou, J.
登録日2014-12-17
公開日2015-07-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
5D1M
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BU of 5d1m by Molmil
Crystal Structure of UbcH5B in Complex with the RING-U5BR Fragment of AO7 (P199A)
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase RNF25, ...
著者Liang, Y.-H, Li, S, Weissman, A.M, Ji, X.
登録日2015-08-04
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.581 Å)
主引用文献Insights into Ubiquitination from the Unique Clamp-like Binding of the RING E3 AO7 to the E2 UbcH5B.
J.Biol.Chem., 290, 2015
6BDQ
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BU of 6bdq by Molmil
Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000074 (Compound 10a) Complex
分子名称: (2-nitro-4-{[(3S)-piperidin-3-yl]amino}phenyl)methanol, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein
著者Taylor, A.B.
登録日2017-10-24
公開日2018-10-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Design, Synthesis, and Characterization of Novel Small Molecules as Broad Range Antischistosomal Agents.
ACS Med Chem Lett, 9, 2018
4XIO
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BU of 4xio by Molmil
Crystal structure of apo NanB sialidase from streptococcus pneumoniae at pH 8.0 with MPD as the cryoprotectant
分子名称: Sialidase B
著者Brear, P.
登録日2015-01-07
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
7A16
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BU of 7a16 by Molmil
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2229238A (COMPOUND 43)
分子名称: 5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide, MANGANESE (II) ION, Methionine aminopeptidase 2, ...
著者Thorpe, J.H.
登録日2020-08-11
公開日2020-09-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based optimisation of orally active & reversible MetAP-2 inhibitors maintaining a tight 'molecular budget'.
Bioorg.Med.Chem.Lett., 30, 2020
4XJU
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BU of 4xju by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 4-acetamido-2-fluoro-3-hydroxy-6-[1,2-dihydroxyethyl]-7,8-dioxabicyclo[3.2.1]octane-1-carboxylic acid
分子名称: (1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
著者Brear, P.
登録日2015-01-09
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
5D6N
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BU of 5d6n by Molmil
Crystal structure of a mycobacterial protein
分子名称: Acyl-CoA synthase
著者Li, W.J, Bi, L.J.
登録日2015-08-12
公開日2016-03-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Crystal structure of FadD32, an enzyme essential for mycolic acid biosynthesis in mycobacteria.
Sci Rep, 5, 2015

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