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8EH1
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BU of 8eh1 by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with 4-hydroxyquinoline
分子名称: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, Engineered tyrosine synthase (TmTyrS1), POTASSIUM ION, ...
著者Porter, N.J, Almhjell, P.J, Arnold, F.H.
登録日2022-09-13
公開日2023-10-04
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 2024
8F6U
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BU of 8f6u by Molmil
Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
分子名称: CFTR inhibitory factor, Nanobody VHH113
著者Simard, A.R, Taher, N.M, Mishra, A.K, Madden, D.R.
登録日2022-11-17
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
To Be Published
8F6V
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BU of 8f6v by Molmil
Crystal Structure of Nanobody VHH108 Bound to Its Antigen PA14 Cif
分子名称: CFTR inhibitory factor, Nanobody VHH108
著者Simard, A.R, Madden, D.R.
登録日2022-11-17
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
To Be Published
8FSD
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BU of 8fsd by Molmil
P130R mutant of soybean SHMT8 in complex with PLP-glycine and formylTHF
分子名称: 1,2-ETHANEDIOL, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, ...
著者Beamer, L.J, Korasick, D.A.
登録日2023-01-09
公開日2023-10-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural and functional analysis of two SHMT8 variants associated with soybean cyst nematode resistance.
Febs J., 291, 2024
6EYC
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BU of 6eyc by Molmil
Re-refinement of the MCM2-7 double hexamer using ISOLDE
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, ...
著者Croll, T.I.
登録日2017-11-11
公開日2018-06-20
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献ISOLDE: a physically realistic environment for model building into low-resolution electron-density maps.
Acta Crystallogr D Struct Biol, 74, 2018
8FQ9
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BU of 8fq9 by Molmil
Crystal structure of a ligand-bound cation-site mutant D55C of a melibiose transporter
分子名称: Melibiose permease, PENTAETHYLENE GLYCOL, dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside
著者Guan, L.
登録日2023-01-05
公開日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of a ligand-bound cation-site mutant D55C of a melibiose transporter
To Be Published
8G6C
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BU of 8g6c by Molmil
GTP Cyclohydrolase-IB with manganese
分子名称: 1,2-ETHANEDIOL, GTP cyclohydrolase FolE2, MANGANESE (II) ION
著者McWhorter, K.L, Amaya Lopez, C.Y, Davis, K.M.
登録日2023-02-14
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Combatting melioidosis with chemical synthetic lethality
To Be Published
8GAR
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BU of 8gar by Molmil
Nitrosomonas europaea Cytochrome P460 Arg44Ala
分子名称: ACETATE ION, Cytochrome P460, HEME C
著者Bollmeyer, M.M, Lancaster, K.M.
登録日2023-02-23
公開日2023-07-05
最終更新日2023-07-12
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Cytochrome P460 Cofactor Maturation Proceeds via Peroxide-Dependent Post-translational Modification.
J.Am.Chem.Soc., 145, 2023
6GER
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BU of 6ger by Molmil
Wheat b-amylase, a clinically relevant food allergen
分子名称: Beta-amylase
著者Hofer, G, Keller, W.
登録日2018-04-27
公開日2018-12-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.00004673 Å)
主引用文献Three-dimensional structure of the wheat beta-amylase Tri a 17, a clinically relevant food allergen.
Allergy, 74, 2019
6OPJ
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BU of 6opj by Molmil
Menin in complex with peptide inhibitor 25
分子名称: DIMETHYL SULFOXIDE, Menin, Peptide inhibitor 25, ...
著者Linhares, B.M, Fortuna, P, Cierpicki, T, Grembecka, J, Berlicki, L.
登録日2019-04-25
公開日2020-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5006572 Å)
主引用文献Covalent and noncovalent constraints yield a figure eight-like conformation of a peptide inhibiting the menin-MLL interaction.
Eur.J.Med.Chem., 207, 2020
6PHJ
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BU of 6phj by Molmil
Crystal structure of native glucagon in space group P213 at 1.99 A resolution
分子名称: Glucagon
著者Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
登録日2019-06-25
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHO
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BU of 6pho by Molmil
Crystal structure of glucagon analog with selenomethionine substitutions at position 1 and 27 in space group I41 at 1.42 A resolution
分子名称: Glucagon
著者Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
登録日2019-06-25
公開日2020-07-01
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6P0J
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BU of 6p0j by Molmil
Crystal structure of GDP-bound human RalA
分子名称: CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Ral-A
著者Bum-Erdene, K, Gonzalez-Gutierrez, G, Liu, D, Meroueh, S.O.
登録日2019-05-17
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PHK
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BU of 6phk by Molmil
Crystal structure of glucagon analog with mono-stereoinversion at position 21 (D-Asp21) in space group I41 at 1.18 A resolution
分子名称: Glucagon
著者Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
登録日2019-06-25
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHP
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BU of 6php by Molmil
Crystal structure of glucagon analog with 4-bromo-phenylalanine substitutions at position 6 and 22 in space group I41 at 1.65 A resolution
分子名称: Glucagon
著者Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
登録日2019-06-25
公開日2020-07-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PQ7
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BU of 6pq7 by Molmil
Structure of the iMango-III fluorescent aptamer at room temperature.
分子名称: MAGNESIUM ION, POTASSIUM ION, RNA (37-MER), ...
著者Trachman III, R.J, Ferre-D'Amare, A.R.
登録日2019-07-08
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Co-crystal structure of the iMango-III fluorescent RNA aptamer using an X-ray free-electron laser.
Acta Crystallogr.,Sect.F, 75, 2019
6PHN
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BU of 6phn by Molmil
Crystal structure of glucagon analog composed of D-amino acids with mono-stereoinversion at position 23 (L-Val23) in space group I41 at 1.33 A resolution
分子名称: D-glucagon L-Val23, SODIUM ION
著者Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
登録日2019-06-25
公開日2020-07-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHI
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BU of 6phi by Molmil
Crystal structure of native glucagon in space group I41 at 1.1 A resolution
分子名称: CHLORIDE ION, Glucagon
著者Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
登録日2019-06-25
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHM
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BU of 6phm by Molmil
Crystal structure of glucagon analog fully composed of D-amino acids in space group I41 at 1.1 A resolution
分子名称: D-glucagon, SULFATE ION
著者Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
登録日2019-06-25
公開日2020-07-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHL
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BU of 6phl by Molmil
Crystal structure of glucagon analog with mono-stereoinversion at position 23 (D-Val23) in space group I41 at 1.44 A resolution
分子名称: Glucagon
著者Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
登録日2019-06-25
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.443 Å)
主引用文献High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6PHQ
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BU of 6phq by Molmil
Crystal structure of glucagon analog fully composed of D-amino acids with 4-bromo-D-phenylalanine substitutions at position 6 and 22 in space group I41 at 1.1 A resolution
分子名称: D-glucagon D-BrPhe 6,22
著者Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
登録日2019-06-25
公開日2020-07-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
6P7M
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BU of 6p7m by Molmil
Cryo-EM structure of LbCas12a-crRNA: AcrVA4 (1:2 complex)
分子名称: Cas12a, MAGNESIUM ION, anti-CRISPR VA4, ...
著者Knott, G.J, Liu, J.J, Doudna, J.A.
登録日2019-06-06
公開日2019-08-21
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for AcrVA4 inhibition of specific CRISPR-Cas12a.
Elife, 8, 2019
6P7N
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BU of 6p7n by Molmil
Cryo-EM structure of LbCas12a-crRNA: AcrVA4 (2:2 complex)
分子名称: Cas12a, MAGNESIUM ION, anti-CRISPR VA4, ...
著者Knott, G.J, Liu, J.J, Doudna, J.A.
登録日2019-06-06
公開日2019-08-21
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Structural basis for AcrVA4 inhibition of specific CRISPR-Cas12a.
Elife, 8, 2019
6QIX
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BU of 6qix by Molmil
The crystal structure of Trichuris muris p43
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
著者Levy, C.W.
登録日2019-01-21
公開日2019-06-12
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The major secreted protein of the whipworm parasite tethers to matrix and inhibits interleukin-13 function.
Nat Commun, 10, 2019
7OR2
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BU of 7or2 by Molmil
Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 4)
分子名称: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase
著者Acebron-Garcia de Eulate, M, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C.
登録日2021-06-04
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022

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