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8ETY
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BU of 8ety by Molmil
Ancestral PETase 35_442
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Saunders, J.W, Frkic, R.L, Jackson, C.J.
登録日2022-10-18
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Ancestral PETase 35_442
To Be Published
7TXQ
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BU of 7txq by Molmil
x-ray structure of the VioB N-acetyltransferase from Acinetobacter baumannii in the present of TDP and Acetyl-CoenzymeA
分子名称: ACETYL COENZYME *A, SODIUM ION, THYMIDINE-5'-DIPHOSPHATE, ...
著者Herkert, N.R, Thoden, J.B, Holden, H.M.
登録日2022-02-09
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and function of an N-acetyltransferase from the human pathogen Acinetobacter baumannii isolate BAL_212.
Proteins, 90, 2022
7TXP
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BU of 7txp by Molmil
X-ray structure of the VioB N-acetyltransferase from Acinetobacter baumannii in complex with TDP-4-amino-4,6-dideoxy-D-glucose
分子名称: SODIUM ION, VioB, dTDP-4-amino-4,6-dideoxyglucose
著者Herkert, N.R, Thoden, J.B, Holden, H.M.
登録日2022-02-09
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure and function of an N-acetyltransferase from the human pathogen Acinetobacter baumannii isolate BAL_212.
Proteins, 90, 2022
8ETK
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BU of 8etk by Molmil
Bile salt hydrolase A from Lactobacillus gasseri bound to covalent probe
分子名称: (5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name), Conjugated bile salt hydrolase, SODIUM ION
著者Walker, M.E, Grundy, M.K, Redinbo, M.R.
登録日2022-10-17
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
8ETZ
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BU of 8etz by Molmil
Ancestral PETase 35_442 Mutant E13D
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Saunders, J.W, Frkic, R.L, Jackson, C.J.
登録日2022-10-18
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Ancestral PETase 35_442 Mutant E13D
To Be Published
8EU0
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BU of 8eu0 by Molmil
Ancestral PETase 35_442 Mutant E27Q
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Polyethylene terephthalate hydrolase, ...
著者Saunders, J.W, Frkic, R.L, Jackson, C.J.
登録日2022-10-18
公開日2023-11-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Ancestral PETase 35_442 Mutant E27Q
To Be Published
7QF0
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BU of 7qf0 by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with the human antibody CV2.2325
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CV2.2325 heavy chain, ...
著者Fernandez, I, Pederzoli, R, Rey, F.A.
登録日2021-12-03
公開日2022-05-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Potent human broadly SARS-CoV-2-neutralizing IgA and IgG antibodies effective against Omicron BA.1 and BA.2.
J.Exp.Med., 219, 2022
8OTM
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BU of 8otm by Molmil
structure of InhA from mycobacterium tuberculosis in complex with N-((1-(3-hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-oxo-2H-chromene-3-carboxamide
分子名称: 1,2-ETHANEDIOL, 2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide, ACETATE ION, ...
著者Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L.
登録日2023-04-21
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA.
Eur.J.Med.Chem., 259, 2023
2C3F
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BU of 2c3f by Molmil
The structure of a group A streptococcal phage-encoded tail-fibre showing hyaluronan lyase activity.
分子名称: HYALURONIDASE, PHAGE ASSOCIATED, SODIUM ION
著者Taylor, E.J, Smith, N.L, Linsay, A.-M, Charnock, S.J, Turkenburg, J.P, Dodson, E.J, Davies, G.J, Black, G.W.
登録日2005-10-06
公開日2005-11-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure of a Group a Streptococcal Phage-Encoded Virulence Factor Reveals Catalytically Active Triple-Stranded Beta-Helix
Proc.Natl.Acad.Sci.USA, 102, 2005
8ETX
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BU of 8etx by Molmil
Ancestral PETase 55_547
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Polyethylene terephthalate hydrolase, ...
著者Saunders, J.W, Frkic, R.L, Jackson, C.J.
登録日2022-10-18
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Ancestral PETase 55_547
To Be Published
8EWT
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BU of 8ewt by Molmil
Bile salt hydrolase A from Lactobacillus gasseri bound to covalent probe
分子名称: (5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name), Conjugated bile salt hydrolase, SODIUM ION
著者Walker, M.E, Redinbo, M.R.
登録日2022-10-24
公開日2023-11-15
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
8P1T
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BU of 8p1t by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Z237451470
分子名称: 1,2-ETHANEDIOL, 6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide, CHLORIDE ION, ...
著者Thomsen, M, Thieulin-Pardo, G, Neumann, L.
登録日2023-05-12
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.442 Å)
主引用文献Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
8EY3
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BU of 8ey3 by Molmil
Contact-dependent growth inhibition (CDI) immunity protein from E. coli O32:H37
分子名称: Cys_rich_CPCC domain-containing protein, FE (III) ION, SODIUM ION
著者Michalska, K, Stols, L, Eschenfeldt, W, Goulding, C.W, Hayes, C.S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-10-26
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Contact-dependent growth inhibition (CDI) immunity protein from E. coli O32:H37
To Be Published
7Q52
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BU of 7q52 by Molmil
Crystal structure of S/T protein kinase PknG from Mycobacterium tuberculosis in complex with inhibitor L2W
分子名称: 2-azanyl-3-(4-fluorophenyl)carbonyl-indolizine-1-carboxamide, FE (III) ION, SODIUM ION, ...
著者Defelipe, L.A, Burastero, O, Bento, I, Garcia-Alai, M.M.
登録日2021-11-02
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors.
J.Med.Chem., 65, 2022
8P0Z
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BU of 8p0z by Molmil
AP01-S2.3 - a variant of a redesigned transferrin receptor apical domain
分子名称: BORIC ACID, SODIUM ION, Transferrin receptor protein 1, ...
著者Oberdorfer, G, Grill, B, Bjelic, S, Stoll, D.
登録日2023-05-11
公開日2023-09-27
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Affinity Maturated Transferrin Receptor Apical Domain Blocks Machupo Virus Glycoprotein Binding.
J.Mol.Biol., 435, 2023
8EYP
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BU of 8eyp by Molmil
Joint X-ray/neutron structure of Salmonella typhimurium tryptophan synthase internal aldimine from microgravity-grown crystal
分子名称: SODIUM ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain
著者Drago, V.N, Kovalevsky, A, Blakeley, M.P, Forsyth, V.T, Mueser, T.C.
登録日2022-10-28
公開日2024-02-14
最終更新日2024-05-08
実験手法NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION
主引用文献Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase.
Cell Rep Phys Sci, 5, 2024
7TWA
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BU of 7twa by Molmil
Crystal structure of apo BesC from Streptomyces cattleya
分子名称: 1,3-BUTANEDIOL, 4-chloro-allylglycine synthase, ACETATE ION, ...
著者Neugebauer, M.E, McBride, M.J, Boal, A.K, Chang, M.C.Y.
登録日2022-02-07
公開日2022-04-13
最終更新日2022-04-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Substrate-Triggered mu-Peroxodiiron(III) Intermediate in the 4-Chloro-l-Lysine-Fragmenting Heme-Oxygenase-like Diiron Oxidase (HDO) BesC: Substrate Dissociation from, and C4 Targeting by, the Intermediate.
Biochemistry, 61, 2022
8EZC
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BU of 8ezc by Molmil
X-ray crystal structure of salmonella typhimurium Tryptophan synthase internal aldimine
分子名称: SODIUM ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain
著者Drago, V.N, Mueser, T.C.
登録日2022-10-31
公開日2024-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase.
Cell Rep Phys Sci, 5, 2024
7QDQ
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BU of 7qdq by Molmil
Crystal Structure of HDM2 in complex with Caylin-1
分子名称: CHLORIDE ION, Caylin-1, DIMETHYL SULFOXIDE, ...
著者Finke, A.D, Walti, M.A, Marsh, M.E, Orts, J.
登録日2021-11-29
公開日2022-10-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Elucidation of a nutlin-derivative-HDM2 complex structure at the interaction site by NMR molecular replacement: A straightforward derivation
J Magn Reson Open, 10-11, 2022
8OYL
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BU of 8oyl by Molmil
Coiled-Coil Domain of Human STIL, Q729L Mutant
分子名称: CADMIUM ION, CHLORIDE ION, SCL-interrupting locus protein, ...
著者Martin, F.J.O, Shamir, M, Woolfson, D.N, Friedler, A.
登録日2023-05-05
公開日2023-10-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Molecular Mechanism of STIL Coiled-Coil Domain Oligomerization.
Int J Mol Sci, 24, 2023
8OYW
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BU of 8oyw by Molmil
De novo designed rhomboid protease-like fold RPF_9
分子名称: De novo designed soluble Rhomboid protease-like protein, SODIUM ION
著者Pacesa, M, Correia, B.E.
登録日2023-05-05
公開日2023-10-18
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
8P1C
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BU of 8p1c by Molmil
Lysozyme structure solved from serial crystallography data collected at 1 kHz with JUNGFRAU detector at MAXIV
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Nan, J, Leonarski, F, Furrer, A, Dworkowski, F.
登録日2023-05-11
公開日2023-10-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source.
Iucrj, 10, 2023
7QE4
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BU of 7qe4 by Molmil
B-trefoil lectin from Salpingoeca rosetta in complex with GalNAc
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, CHLORIDE ION, ...
著者Notova, S, Varrot, A.
登録日2021-12-01
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The choanoflagellate pore-forming lectin SaroL-1 punches holes in cancer cells by targeting the tumor-related glycosphingolipid Gb3.
Commun Biol, 5, 2022
7QSF
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BU of 7qsf by Molmil
Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-12 (G206C, R207T, D210A, S211A)
分子名称: CHLORIDE ION, Isoaspartyl peptidase, Isoaspartyl peptidase subunit beta, ...
著者Loch, J.I, Kadziolka, K, Jaskolski, M.
登録日2022-01-13
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022
7QTC
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BU of 7qtc by Molmil
Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-3 (G206H, R207T, D210P, S211Q)
分子名称: Isoaspartyl peptidase, Isoaspartyl peptidase subunit beta, SODIUM ION
著者Loch, J.I, Kadziolka, K, Jaskolski, M.
登録日2022-01-14
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase.
Acta Crystallogr D Struct Biol, 78, 2022

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件を2024-09-18に公開中

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