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8DFZ
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BU of 8dfz by Molmil
NMR shows why a small chemical change almost abolishes the antimicrobial activity of GccF
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bacteriocin glycocin F
Authors:Harjes, E, Edwards, P.J.B, Norris, G.
Deposit date:2022-06-23
Release date:2023-07-05
Last modified:2023-09-13
Method:SOLUTION NMR
Cite:NMR Shows Why a Small Chemical Change Almost Abolishes the Antimicrobial Activity of Glycocin F.
Biochemistry, 62, 2023
9FWW
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BU of 9fww by Molmil
Human NKp30 in complex with a VHH variant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Natural cytotoxicity triggering receptor 3, VHH, ...
Authors:Musil, D, Freire, F.
Deposit date:2024-07-01
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.844 Å)
Cite:On the humanization of VHHs: Prospective case studies, experimental and computational characterization of structural determinants for functionality.
Protein Sci., 33, 2024
6T9B
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BU of 6t9b by Molmil
Crystal structrue of RSL W31A lectin mutant in complex with alpha-methylfucoside
Descriptor: Fucose-binding lectin protein, GLYCINE, methyl alpha-L-fucopyranoside
Authors:Houser, J, Komarek, J, Kozmon, S, Wimmerova, M.
Deposit date:2019-10-26
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification.
Chemistry, 26, 2020
8D6K
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BU of 8d6k by Molmil
Sco GlgEI-V279S in complex with cyclohexyl carbasugar
Descriptor: (1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER
Authors:Jayasinghe, T.J, Ronning, D.R.
Deposit date:2022-06-06
Release date:2022-10-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Synthesis of C 7 /C 8 -cyclitols and C 7 N-aminocyclitols from maltose and X-ray crystal structure of Streptomyces coelicolor GlgEI V279S in a complex with an amylostatin GXG-like derivative.
Front Chem, 10, 2022
8DOR
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BU of 8dor by Molmil
Crystal structure of Dihydropteridine reductase/oxygen-insensitive NAD(P)H nitroreductase from Klebsiella pneumoniae
Descriptor: Dihydropteridine reductase/oxygen-insensitive NAD(P)H nitroreductase, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-07-14
Release date:2022-07-27
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structures of NAD(P)H nitroreductases from Klebsiella pneumoniae.
Acta Crystallogr.,Sect.F, 80, 2024
5DWU
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BU of 5dwu by Molmil
Beta common receptor in complex with a Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit beta, Fab - Heavy Chain, ...
Authors:Dhagat, U, Parker, M.W.
Deposit date:2015-09-23
Release date:2015-12-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.97 Å)
Cite:CSL311, a novel, potent, therapeutic monoclonal antibody for the treatment of diseases mediated by the common beta chain of the IL-3, GM-CSF and IL-5 receptors.
Mabs, 8, 2016
1FYU
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BU of 1fyu by Molmil
Crystal structure of erythrina corallodendron lectin in hexagonal crystal form
Descriptor: CALCIUM ION, LECTIN, MANGANESE (II) ION, ...
Authors:Elgavish, S, Shaanan, B.
Deposit date:2000-10-03
Release date:2000-10-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Chemical characteristics of dimer interfaces in the legume lectin family.
Protein Sci., 10, 2001
7ZAS
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BU of 7zas by Molmil
Crystal structure of cleaved Iripin-4 serpin from tick Ixodes ricinus
Descriptor: CHLORIDE ION, Iripin-4 serpin
Authors:Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T.
Deposit date:2022-03-22
Release date:2023-03-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational transition of the Ixodes ricinus salivary serpin Iripin-4.
Acta Crystallogr D Struct Biol, 79, 2023
7P4Z
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BU of 7p4z by Molmil
Crystal structure of avidin from hen egg white in space group C2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Avidin
Authors:Bellini, D, Gorrec, F.
Deposit date:2021-07-13
Release date:2021-08-25
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The FUSION protein crystallization screen.
J.Appl.Crystallogr., 55, 2022
8QHN
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BU of 8qhn by Molmil
Streptococcus pyogenes GapN in complex with NADPH and erythrose-4-phosphate
Descriptor: ERYTHOSE-4-PHOSPHATE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Wirsing, R, Schindelin, H.
Deposit date:2023-09-08
Release date:2025-06-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Streptococcus pyogenes GapN in complex with NADPH and erythrose-4-phosphate
To Be Published
6HIL
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BU of 6hil by Molmil
X-ray structure of TEAD1(Y421H mutant) complexed with YAP(wildtype): Molecular and structural characterization of a TEAD mutation at the origin of Sveinsson's chorioretinal atrophy
Descriptor: MYRISTIC ACID, Transcriptional coactivator YAP1, Transcriptional enhancer factor TEF-1
Authors:Kallen, J.
Deposit date:2018-08-30
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular and structural characterization of a TEAD mutation at the origin of Sveinsson's chorioretinal atrophy.
Febs J., 286, 2019
6HIK
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BU of 6hik by Molmil
X-ray structure of TEAD4(Y429H) mutant) complexed with YAP (wildtype): Molecular and structural characterization of a TEAD mutation at the origin of Sveinsson's chorioretinal atrophy
Descriptor: MYRISTIC ACID, PHOSPHATE ION, Transcriptional coactivator YAP1, ...
Authors:Kallen, J.
Deposit date:2018-08-30
Release date:2019-04-03
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular and structural characterization of a TEAD mutation at the origin of Sveinsson's chorioretinal atrophy.
Febs J., 286, 2019
7DFS
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BU of 7dfs by Molmil
Crystal structure of a novel 4-O-alpha-L-rhamnosyl-beta-D-glucuronidase from Fusarium oxysporum 12S - Rha-GlcA complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-alpha-L-rhamnosyl-beta-D-glucuronidase, alpha-D-mannopyranose, ...
Authors:Kondo, T, Arakawa, T, Fushinobu, S, Sakamoto, T.
Deposit date:2020-11-09
Release date:2021-03-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Biochemical and structural characterization of a novel 4-O-alpha-l-rhamnosyl-beta-d-glucuronidase from Fusarium oxysporum.
Febs J., 288, 2021
6HX7
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BU of 6hx7 by Molmil
Crystal structure of human R180T variant of ORNITHINE AMINOTRANSFERASE at 1.8 Angstrom
Descriptor: Ornithine aminotransferase, mitochondrial, PYRIDOXAL-5'-PHOSPHATE
Authors:Giardina, G, Montioli, R, Cellini, B, Cutruzzola, F, Borri Voltattorni, C.
Deposit date:2018-10-16
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:R180T variant of delta-ornithine aminotransferase associated with gyrate atrophy: biochemical, computational, X-ray and NMR studies provide insight into its catalytic features.
Febs J., 286, 2019
5D2A
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BU of 5d2a by Molmil
Bifunctional dendrimers
Descriptor: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ...
Authors:Michaud, G, Visini, R, Stocker, A, Darbre, T, Reymond, J.L.
Deposit date:2015-08-05
Release date:2016-02-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.134 Å)
Cite:Overcoming antibiotic resistance inPseudomonas aeruginosabiofilms using glycopeptide dendrimers.
Chem Sci, 7, 2016
8SBH
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BU of 8sbh by Molmil
YeiE effector binding domain from E. coli
Descriptor: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
Authors:Momany, C, Nune, M, Brondani, J.C, Afful, D, Neidle, E.
Deposit date:2023-04-03
Release date:2024-04-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:FinR, a LysR-type transcriptional regulator involved in sulfur homeostasis with homologs in diverse microorganisms
To Be Published
8QWJ
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BU of 8qwj by Molmil
Structure of GFP variant
Descriptor: Green fluorescent protein
Authors:Lenz, M, Fiedler, M, Bellini, D, Chin, J.W.
Deposit date:2023-10-19
Release date:2024-12-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a GFP variant
To Be Published
7Z6Z
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BU of 7z6z by Molmil
Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with fosinoprilat
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:Cozier, G.E, Acharya, K.R.
Deposit date:2022-03-14
Release date:2022-06-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the inhibition of human angiotensin-1 converting enzyme by fosinoprilat.
Febs J., 289, 2022
7Z70
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BU of 7z70 by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with fosinoprilat
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2022-03-14
Release date:2022-06-22
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for the inhibition of human angiotensin-1 converting enzyme by fosinoprilat.
Febs J., 289, 2022
7ZBF
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BU of 7zbf by Molmil
Crystal structure of native Iripin-4 serpin from tick Ixodes ricinus
Descriptor: Iripin-4 serpin, NICKEL (II) ION
Authors:Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T.
Deposit date:2022-03-23
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformational transition of the Ixodes ricinus salivary serpin Iripin-4.
Acta Crystallogr D Struct Biol, 79, 2023
6HOV
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BU of 6hov by Molmil
Crystal Structure of BRD4 first bromodomain in complex with ferulic acid
Descriptor: 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Bromodomain-containing protein 4
Authors:Dalle Vedove, A, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
7PH1
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BU of 7ph1 by Molmil
Trypsin in complex with BPTI mutant (2S)-2-amino-4-monofluorobutanoic acid
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Dimos, N, Leppkes, J, Koksch, B, Loll, B.
Deposit date:2021-08-16
Release date:2022-03-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Water Network in the Binding Pocket of Fluorinated BPTI-Trypsin Complexes─Insights from Simulation and Experiment.
J.Phys.Chem.B, 126, 2022
6HOU
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BU of 6hou by Molmil
Human protein kinase CK2 alpha in complex with vanillin
Descriptor: 4-hydroxy-3-methoxybenzaldehyde, Casein kinase II subunit alpha, SULFATE ION
Authors:Battistutta, R, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
6HOQ
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BU of 6hoq by Molmil
Human protein kinase CK2 alpha in complex with ferulic acid
Descriptor: 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Casein kinase II subunit alpha, ...
Authors:Battistutta, R, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020
6HOP
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BU of 6hop by Molmil
Human protein kinase CK2 alpha in complex with curcumin degradation products
Descriptor: (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one, 1,2-ETHANEDIOL, ...
Authors:Battistutta, R, Lolli, G.
Deposit date:2018-09-18
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Febs J., 287, 2020

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數據於2025-10-15公開中

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