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7QT4
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Antibody FenAb709 - fentanyl complex
分子名称: 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain
著者Zeelen, J.P, Straaten van, M, Stebbins, C.E.
登録日2022-01-14
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
6ZJ7
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Trehalose transferase (TreT) from Thermoproteus uzoniensis soaked with Mg
分子名称: GLYCEROL, TETRAETHYLENE GLYCOL, THIOCYANATE ION, ...
著者Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U.
登録日2020-06-28
公開日2020-09-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars.
Acs Catalysis, 10, 2020
7LQO
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Crystal structure of a genetically encoded red fluorescent peroxynitrite biosensor, pnRFP
分子名称: PHOSPHATE ION, red fluorescent peroxynitrite biosensor pnRFP
著者Huang, M, Ng, H.L, Pang, Y, Zhang, S, Fan, Y, Yeh, H, Xiong, Y, Li, X, Ai, H.
登録日2021-02-14
公開日2022-03-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Development, Characterization, and Structural Analysis of a Genetically Encoded Red Fluorescent Peroxynitrite Biosensor
To Be Published
6HBB
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BU of 6hbb by Molmil
Crystal Structure of the small subunit-like domain 1 of CcmM from Synechococcus elongatus (strain PCC 7942)
分子名称: Carbon dioxide concentrating mechanism protein CcmM, SULFATE ION
著者Wang, H, Yan, X, Aigner, H, Bracher, A, Nguyen, N.D, Hee, W.Y, Long, B.M, Price, G.D, Hartl, F.U, Hayer-Hartl, M.
登録日2018-08-10
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Rubisco condensate formation by CcmM in beta-carboxysome biogenesis.
Nature, 566, 2019
6G8S
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[Ru(TAP)2(11,12-CN2-dppz)]2+ bound to d(CCGGACCCGG/CCGGGTCCGG)2
分子名称: BARIUM ION, DNA (5'-D(*CP*CP*GP*GP*AP*CP*CP*CP*GP*G)-3'), DNA (5'-D(*CP*CP*GP*GP*GP*TP*CP*CP*GP*G)-3'), ...
著者McQuaid, K.T, Hall, J.P, Cardin, C.J.
登録日2018-04-09
公開日2019-04-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献X-ray Crystal Structures Show DNA Stacking Advantage of Terminal Nitrile Substitution in Ru-dppz Complexes.
Chemistry, 24, 2018
5HRX
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BU of 5hrx by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with 1-butylisochromeno[3,4-c]pyrazol-5(2H)-one) compound
分子名称: 1,2-ETHANEDIOL, 1-butylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1
著者Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S.
登録日2016-01-24
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
6QUI
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BU of 6qui by Molmil
GHK tagged GFP variant at 17Kev
分子名称: COPPER (II) ION, GLYCEROL, Green fluorescent protein, ...
著者Huyton, T, Gorlich, D.
登録日2019-02-27
公開日2020-05-27
最終更新日2022-12-07
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The copper(II)-binding tripeptide GHK, a valuable crystallization and phasing tag for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 76, 2020
6HBE
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BU of 6hbe by Molmil
Cu-containing nitrite reductase (NirK) from Thermus scotoductus SA-01
分子名称: CALCIUM ION, COPPER (II) ION, Copper-containing nitrite reductase
著者Opperman, D.J, Ferroni, F.M.
登録日2018-08-10
公開日2019-01-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A three-domain copper-nitrite reductase with a unique sensing loop.
Iucrj, 6, 2019
7LXQ
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Collagen Mimetic Peptide with a Yaa-position Aza-proline
分子名称: Collagen mimetic peptide
著者Melton, S.D, Harris, T, Chenoweth, D.M.
登録日2021-03-04
公開日2022-03-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Collagen Mimetic Peptide with a Yaa-position Aza-proline
To Be Published
5VZR
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BU of 5vzr by Molmil
Crystal Structure of MERS-CoV neutralizing antibody G4 Fab
分子名称: G4 antibody heavy chain, G4 antibody light chain, GLYCEROL
著者Wang, N, Wrapp, D, McLellan, J.S.
登録日2017-05-29
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5HSH
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BU of 5hsh by Molmil
Crystal structure of the G291R mutant of human phosphoglucomutase 1
分子名称: Phosphoglucomutase-1, SULFATE ION
著者Stiers, K.M, Beamer, L.J.
登録日2016-01-25
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Induced Structural Disorder as a Molecular Mechanism for Enzyme Dysfunction in Phosphoglucomutase 1 Deficiency.
J.Mol.Biol., 428, 2016
6BKL
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BU of 6bkl by Molmil
Influenza A M2 transmembrane domain bound to rimantadine
分子名称: (1S)-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethan-1-amine, Matrix protein 2, RIMANTADINE
著者Thomaston, J.L, DeGrado, W.F.
登録日2017-11-08
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.995 Å)
主引用文献Inhibitors of the M2 Proton Channel Engage and Disrupt Transmembrane Networks of Hydrogen-Bonded Waters.
J. Am. Chem. Soc., 140, 2018
6G91
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Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 5-chloranyl-~{N}-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2018-04-10
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6BND
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BU of 6bnd by Molmil
Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, Thr315Ala mutant mono-zinc and phosphoethanolamine complex
分子名称: PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, POLYETHYLENE GLYCOL (N=34), Phosphoethanolamine transferase, ...
著者Stogios, P.J, Evdokimova, E, Wawrzak, Z, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-11-16
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Substrate Recognition by a Colistin Resistance Enzyme from Moraxella catarrhalis.
ACS Chem. Biol., 13, 2018
7QEM
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BU of 7qem by Molmil
bacterial IMPDH chimera
分子名称: INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase
著者Labesse, G, Gelin, M, Gedeon, A, Haouz, A, Munier-Lehmann, H.
登録日2021-12-03
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMP dehydrogenases.
Protein Sci., 32, 2023
6QUV
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BU of 6quv by Molmil
Crystal Structure of KRAS-G12D in complex with GMP-PCP and compound 15R
分子名称: (6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one, GTPase KRas, MAGNESIUM ION, ...
著者Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B.
登録日2019-02-28
公開日2019-07-31
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.475 Å)
主引用文献KRAS Binders Hidden in Nature.
Chemistry, 25, 2019
6FW0
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BU of 6fw0 by Molmil
Crystal structure of human monoamine oxidase B (MAO B) in complex with chlorophenyl-chromone-carboxamide
分子名称: Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C.
登録日2018-03-05
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.
J. Med. Chem., 61, 2018
8T7J
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BU of 8t7j by Molmil
Oxygen- and PLP-dependent Cap15 holoenzyme bound with phosphate anion
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, Putative selenocysteine synthase
著者Daniel-Ivad, P, Ryan, K.S.
登録日2023-06-20
公開日2023-08-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the Oxygen, Pyridoxal Phosphate-Dependent Capuramycin Biosynthetic Protein Cap15.
Biochemistry, 62, 2023
6FW7
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BU of 6fw7 by Molmil
Crystal structure of L-tryptophan oxidase VioA from Chromobacterium violaceum in complex with 4-Fluoro-L-Tryptophan
分子名称: 4-FLUOROTRYPTOPHANE, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent L-tryptophan oxidase VioA, ...
著者Lai, H.E, Morgan, M, Moore, S, Freemont, P.
登録日2018-03-05
公開日2019-02-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A GenoChemetic strategy for derivatization of the violacein natural product scaffold
Biorxiv, 2019
8TTI
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BU of 8tti by Molmil
Trp-6-Halogenase BorH complexed with FAD and Trp
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TRYPTOPHAN, ...
著者Lingkon, K, Bellizzi, J.J.
登録日2023-08-14
公開日2023-08-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystallographic and thermodynamic evidence of negative cooperativity of flavin and tryptophan binding in the flavin-dependent halogenases AbeH and BorH.
Biorxiv, 2023
7L92
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BU of 7l92 by Molmil
C1B domain of Protein kinase C in complex with diacylglycerol and dodecyl 2-(trimethylammonio)ethyl phosphate
分子名称: DIACYL GLYCEROL, ETHANOL, Protein kinase C delta type, ...
著者Katti, S.S, Krieger, I.V.
登録日2021-01-01
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural anatomy of Protein Kinase C C1 domain interactions with diacylglycerol and other agonists.
Nat Commun, 13, 2022
6HL3
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wild-type NuoEF from Aquifex aeolicus - oxidized form bound to NAD+
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ...
著者Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D.
登録日2018-09-10
公開日2019-06-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Nat Commun, 10, 2019
5W11
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Biochemical and structural insights into the catalytic mechanism of thermostable cellobiohydrolase Cel7A from industrially relevant fungus Myceliophthora thermophila
分子名称: Glucanase, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, alpha-D-mannopyranose, ...
著者Kadowaki, M.A.S, Higasi, P, de Godoy, M.O, Prade, R.A, Polikarpov, I.
登録日2017-06-01
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.311 Å)
主引用文献Biochemical and structural insights into a thermostable cellobiohydrolase from Myceliophthora thermophila.
FEBS J., 285, 2018
6FWC
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BU of 6fwc by Molmil
Crystal structure of human monoamine oxidase B (MAO B) in complex with fluorophenyl-chromone-carboxamide
分子名称: Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C.
登録日2018-03-06
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis.
J. Med. Chem., 61, 2018
6FWF
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Low resolution structure of Neisseria meningitidis qNOR
分子名称: CALCIUM ION, FE (III) ION, Nitric-oxide reductase, ...
著者Young, D, Antonyuk, S, Tosha, T, Hisano, T, Hasnain, S, Shiro, Y.
登録日2018-03-06
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Characterization of the quinol-dependent nitric oxide reductase from the pathogen Neisseria meningitidis, an electrogenic enzyme.
Sci Rep, 8, 2018

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