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7SKO
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BU of 7sko by Molmil
De novo synthetic protein DIG8-CC (orthogonal space group)
分子名称: De novo synthetic protein DIG8-CC, MAGNESIUM ION
著者Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X.
登録日2021-10-21
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献De novo design of immunoglobulin-like domains
Nat Commun, 13, 2022
7SBG
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BU of 7sbg by Molmil
Murine Fab/IgE in complex with profilin from Hevea brasieliensis (Hev b 8)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fab/IgE Heavy chain, Fab/IgE Light chain, ...
著者Rodriguez-Romero, A, Garcia-Ramirez, B.
登録日2021-09-24
公開日2022-08-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献A native IgE in complex with profilin provides insights into allergen recognition and cross-reactivity.
Commun Biol, 5, 2022
7SD2
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BU of 7sd2 by Molmil
Murine Fab that recognizes Hev b 8 (profilin for Hevea brasiliensis)
分子名称: Heavy Chain Antibody IgE/Fab anti-profilin Hev b 8, Light Chain Antibody IgE/Fab anti-profilin Hev b 8
著者Rodriguez-Romero, A, Garcia-Ramirez, B.
登録日2021-09-29
公開日2022-08-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献A native IgE in complex with profilin provides insights into allergen recognition and cross-reactivity.
Commun Biol, 5, 2022
7SPM
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BU of 7spm by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates chemically crosslinked (30 mg/mL EDC, 12 hours, 2 doses).
分子名称: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2021-11-02
公開日2021-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
7SOZ
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BU of 7soz by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates chemically crosslinked (5 mg/mL EDC, 12 hours).
分子名称: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ...
著者Ward, A.R, Snow, C.D.
登録日2021-11-01
公開日2021-11-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
7SQM
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BU of 7sqm by Molmil
Discovery and Preclinical Pharmacology of INE963, A Potent and Fast-Acting Blood-Stage Antimalarial with a High Barrier to Resistance and Potential for Single-Dose Cure in Uncomplicated Malaria
分子名称: 1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine, GLYCEROL, Serine/threonine-protein kinase haspin
著者Shu, W, Yokokawa, F.
登録日2021-11-05
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Failure of artesunate-mefloquine combination therapy for uncompli-cated Plasmodium falciparum malaria in southern Cambodia.
Malar. J., 2009, 8, 10, 2009
6YLV
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BU of 6ylv by Molmil
Translation initiation factor 4E in complex with 4-Cl-Bn7GpppG mRNA 5' cap analog
分子名称: 4-Cl-Bn7GpppG mRNA 5' cap analog, Eukaryotic translation initiation factor 4E, GLYCEROL
著者Kubacka, D, Wojcik, R, Baranowski, M.R, Kowalska, J, Jemielity, J.
登録日2020-04-07
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.66005659 Å)
主引用文献Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation.
Pharmaceutics, 13, 2021
6ZEX
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BU of 6zex by Molmil
Keap1 kelch domain bound to a small molecule fragment
分子名称: 5-cyclopropyl-1-phenyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZEZ
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BU of 6zez by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称: 1-[3-[(1~{R},3~{S})-3-[(2~{S})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, Kelch-like ECH-associated protein 1
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6ZF5
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BU of 6zf5 by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
分子名称: 1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
著者Narayanan, D, Bach, A, Gajhede, M.
登録日2020-06-16
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
J.Med.Chem., 64, 2021
6Z2H
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BU of 6z2h by Molmil
Citryl-CoA lyase module of human ATP citrate lyase in complex with (3S)-citryl-CoA.
分子名称: (3S)-citryl-Coenzyme A, ACETYL COENZYME *A, ATP-citrate synthase, ...
著者Verschueren, K.H.G, Verstraete, K.
登録日2020-05-15
公開日2021-05-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Acetyl-CoA is produced by the citrate synthase homology module of ATP-citrate lyase.
Nat.Struct.Mol.Biol., 28, 2021
7ABB
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BU of 7abb by Molmil
The truncated structure of the Bottromycin biosynthetic protein SalCYP
分子名称: HEME C, SalCYP truncation
著者Adam, S, Koehnke, J.
登録日2020-09-07
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.50004339 Å)
主引用文献Characterization of the Stereoselective P450 Enzyme BotCYP Enables the In Vitro Biosynthesis of the Bottromycin Core Scaffold.
J.Am.Chem.Soc., 142, 2020
7A1A
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BU of 7a1a by Molmil
2,3-Dihydroxybenzoate Decarboxylase of Aspergillus oryzae
分子名称: Amidohydrolase 2, CALCIUM ION, MAGNESIUM ION
著者Hofer, G, Keller, W.
登録日2020-08-12
公開日2020-10-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Metal Ion Promiscuity and Structure of 2,3-Dihydroxybenzoic Acid Decarboxylase of Aspergillus oryzae.
Chembiochem, 22, 2021
8EE2
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BU of 8ee2 by Molmil
Crystal Structure of Nanobody VHH219 Bound to Its Antigen PA14 Cif
分子名称: CFTR inhibitory factor, Nanobody VHH219
著者Simard, A.R, Madden, D.R.
登録日2022-09-06
公開日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of Nanobody VHH219 Bound to Its Antigen PA14 Cif
To Be Published
8EGZ
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BU of 8egz by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate
分子名称: 1,2-ETHANEDIOL, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, 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2024-08-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
8EH0
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BU of 8eh0 by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with quinoline N-oxide
分子名称: 1,2-ETHANEDIOL, 1-oxo-1lambda~5~-quinoline, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
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2024-08-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 20, 2024
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2024-08-14
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., 20, 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
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
8GJR
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BU of 8gjr by Molmil
Crystal Structure of Nanobody VHH114 Bound to Its Antigen PA14 Cif
分子名称: CFTR inhibitory factor, CITRATE ANION, Nanobody VHH114
著者Simard, A.R, Madden, D.R.
登録日2023-03-16
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Nanobody VHH114 Bound to Its Antigen PA14 Cif
To Be Published
7ZBD
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BU of 7zbd by Molmil
HaloTag with TRaQ-G ligand
分子名称: (10R)-7-azanyl-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-2'-cyano-5,5-dimethyl-3-(methylamino)-1'-oxidanylidene-spiro[benzo[b][1]benzosiline-10,3'-isoindole]-5'-carboxamide, CHLORIDE ION, GLYCEROL, ...
著者Emmert, S, Rivera-Fuentes, P, Pojer, F, Lau, K.
登録日2022-03-23
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献A locally activatable sensor for robust quantification of organellar glutathione.
Nat.Chem., 15, 2023

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