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6MBV
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BU of 6mbv by Molmil
Carbonic Anhydrase II in complex with Nicotinic Acid
分子名称: Carbonic anhydrase 2, GLYCEROL, NICOTINIC ACID, ...
著者Lomelino, C.L, McKenna, R.
登録日2018-08-30
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.695 Å)
主引用文献Carbonic anhydrase II in complex with carboxylic acid-based inhibitors.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6MFC
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BU of 6mfc by Molmil
GphF GNAT-like decarboxylase
分子名称: GLYCEROL, GphF, PENTAETHYLENE GLYCOL
著者Skiba, M.A, Tran, C.L, Smith, J.L.
登録日2018-09-10
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.589 Å)
主引用文献Repurposing the GNAT Fold in the Initiation of Polyketide Biosynthesis.
Structure, 28, 2020
2HZC
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BU of 2hzc by Molmil
Crystal structure of the N-terminal RRM of the U2AF large subunit
分子名称: HEXAETHYLENE GLYCOL, Splicing factor U2AF 65 kDa subunit, ZINC ION
著者Thickman, K.R, Sickmier, E.A, Kielkopf, C.L.
登録日2006-08-08
公開日2006-08-29
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Alternative Conformations at the RNA-binding Surface of the N-terminal U2AF(65) RNA Recognition Motif.
J.Mol.Biol., 366, 2007
7BDS
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BU of 7bds by Molmil
Structure of CTX-M-15 crystallised in the presence of tazobactam
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2020-12-22
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.91 Å)
主引用文献Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
7BDR
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BU of 7bdr by Molmil
Structure of CTX-M-15 E166Q mutant crystallised in the presence of tazobactam (AAI101)
分子名称: Beta-lactamase, CHLORIDE ION, SODIUM ION, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2020-12-22
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.91 Å)
主引用文献Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
1BII
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BU of 1bii by Molmil
THE CRYSTAL STRUCTURE OF H-2DD MHC CLASS I IN COMPLEX WITH THE HIV-1 DERIVED PEPTIDE P18-110
分子名称: BETA-2 MICROGLOBULIN, DECAMERIC PEPTIDE, MHC CLASS I H-2DD
著者Achour, A, Persson, K, Harris, R.A, Sundback, J, Sentman, C.L, Lindqvist, Y, Schneider, G, Karre, K.
登録日1998-06-11
公開日1998-10-14
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The crystal structure of H-2Dd MHC class I complexed with the HIV-1-derived peptide P18-I10 at 2.4 A resolution: implications for T cell and NK cell recognition.
Immunity, 9, 1998
7CAM
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BU of 7cam by Molmil
SARS-CoV-2 main protease (Mpro) apo structure (space group P212121)
分子名称: 3C-like proteinase
著者Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chou, Y.Z, Chen, Y.
登録日2020-06-09
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural basis of SARS-CoV-2 main protease inhibition by a broad-spectrum anti-coronaviral drug.
Am J Cancer Res, 10, 2020
7CB7
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BU of 7cb7 by Molmil
1.7A resolution structure of SARS-CoV-2 main protease (Mpro) in complex with broad-spectrum coronavirus protease inhibitor GC376
分子名称: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
著者Wang, Y.C, Yang, C.S, Hou, M.H, Tsai, C.L, Chou, Y.Z, Chen, Y, Hung, M.C.
登録日2020-06-10
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural basis of SARS-CoV-2 main protease inhibition by a broad-spectrum anti-coronaviral drug.
Am J Cancer Res, 10, 2020
1CDG
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BU of 1cdg by Molmil
NUCLEOTIDE SEQUENCE AND X-RAY STRUCTURE OF CYCLODEXTRIN GLYCOSYLTRANSFERASE FROM BACILLUS CIRCULANS STRAIN 251 IN A MALTOSE-DEPENDENT CRYSTAL FORM
分子名称: CALCIUM ION, CYCLODEXTRIN GLYCOSYL-TRANSFERASE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Lawson, C.L, Van Montfort, R, Strokopytov, B.V, Kalk, K.H, Rozeboom, H.J, Dijkstra, B.W.
登録日1993-08-02
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Nucleotide sequence and X-ray structure of cyclodextrin glycosyltransferase from Bacillus circulans strain 251 in a maltose-dependent crystal form.
J.Mol.Biol., 236, 1994
7BH6
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BU of 7bh6 by Molmil
Room temperature, serial X-ray structure of CTX-M-15 collected on fixed target chips at Diamond Light Source I24
分子名称: Beta-lactamase, CHLORIDE ION, SODIUM ION, ...
著者Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
登録日2021-01-10
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BH4
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BU of 7bh4 by Molmil
XFEL structure of apo CTX-M-15 after mixing for 0.7 sec with ertapenem using a piezoelectric injector (PolyPico)
分子名称: Beta-lactamase, SULFATE ION
著者Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
登録日2021-01-10
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
1D2J
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BU of 1d2j by Molmil
LDL RECEPTOR LIGAND-BINDING MODULE 6
分子名称: CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR
著者North, C.L, Blacklow, S.C.
登録日1999-09-23
公開日2000-03-22
最終更新日2021-11-03
実験手法SOLUTION NMR
主引用文献Solution structure of the sixth LDL-A module of the LDL receptor.
Biochemistry, 39, 2000
1BMT
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BU of 1bmt by Molmil
HOW A PROTEIN BINDS B12: A 3.O ANGSTROM X-RAY STRUCTURE OF THE B12-BINDING DOMAINS OF METHIONINE SYNTHASE
分子名称: CO-METHYLCOBALAMIN, METHIONINE SYNTHASE
著者Drennan, C.L, Huang, S, Drummond, J.T, Matthews, R.G, Ludwig, M.L.
登録日1994-09-02
公開日1995-06-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献How a protein binds B12: A 3.0 A X-ray structure of B12-binding domains of methionine synthase.
Science, 266, 1994
7BH5
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BU of 7bh5 by Molmil
XFEL structure of the ertapenem-derived CTX-M-15 acylenzyme after mixing for 2 sec using a piezoelectric injector (PolyPico)
分子名称: (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ...
著者Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
登録日2021-01-10
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BH3
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BU of 7bh3 by Molmil
XFEL structure of CTX-M-15 resting state
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
登録日2021-01-10
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BH7
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BU of 7bh7 by Molmil
Room temperature, serial X-ray structure of the ertapenem-derived acylenzyme of CTX-M-15 (10 min soak) collected on fixed target chips at Diamond Light Source I24
分子名称: (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ...
著者Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J.
登録日2021-01-10
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BBT
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BU of 7bbt by Molmil
Structure of cytochrome c in complex with a p-benzyl-sulfonato-calix[8]arene-PEG pseudorotaxane
分子名称: 4-[[49,50,51,52,53,54,55,56-octahydroxy-11,17,23,29,35,41,47-heptakis[(4-sulfonatophenyl)methyl]-5-nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaenyl]methyl]benzenesulfonate, Cytochrome c iso-1, HEME C, ...
著者Mockler, N.M, Ramberg, K, Guagnini, F, Raston, C.L, Crowley, P.B.
登録日2020-12-18
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.023 Å)
主引用文献Noncovalent Protein-Pseudorotaxane Assembly Incorporating an Extended Arm Calix[8]arene with alpha-Helical Recognition Properties.
Cryst.Growth Des., 21, 2021
7EKZ
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BU of 7ekz by Molmil
Structural and functional insights into Hydra Actinoporin-Like Toxin 1 (HALT-1)
分子名称: FORMIC ACID, GLYCEROL, HALT-1
著者Ker, D.S, Sha, X.H, Jonet, M.A, Hwang, J.S, Ng, C.L.
登録日2021-04-07
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structural and functional analysis of Hydra Actinoporin-Like Toxin 1 (HALT-1).
Sci Rep, 11, 2021
6NES
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BU of 6nes by Molmil
FAD-dependent monooxygenase TropB from T. stipitatus
分子名称: CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H.
登録日2018-12-18
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
6NET
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BU of 6net by Molmil
FAD-dependent monooxygenase TropB from T. stipitatus substrate complex
分子名称: 2,4-dihydroxy-3,6-dimethylbenzaldehyde, CHLORIDE ION, FAD-dependent monooxygenase tropB, ...
著者Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H.
登録日2018-12-18
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
6NEU
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BU of 6neu by Molmil
FAD-dependent monooxygenase TropB from T. stipitatus R206Q variant
分子名称: CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H.
登録日2018-12-18
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization.
Acs Catalysis, 9, 2019
3N4M
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BU of 3n4m by Molmil
E. coli RNA polymerase alpha subunit C-terminal domain in complex with CAP and DNA
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Catabolite gene activator, DI(HYDROXYETHYL)ETHER, ...
著者Lara-Gonzalez, S, Birktoft, J.J, Lawson, C.L.
登録日2010-05-21
公開日2011-05-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.987 Å)
主引用文献The RNA Polymerase alpha Subunit Recognizes the DNA Shape of the Upstream Promoter Element.
Biochemistry, 59, 2020
8D02
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BU of 8d02 by Molmil
Crystal Structure of Bacillus anthracis BxpB
分子名称: BxpB, CALCIUM ION
著者Chattopadhyay, D, Turnbough, C.L.
登録日2022-05-25
公開日2023-05-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure and induced stability of trimeric BxpB: implications for the assembly of BxpB-BclA complexes in the exosporium of Bacillus anthracis.
Mbio, 14, 2023
6PXO
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BU of 6pxo by Molmil
Human Casein Kinase 1 delta (anion-free crystallization conditions)
分子名称: Casein kinase I isoform delta
著者Freeberg, A, Philpott, J.M, Tripathi, S.M, Partch, C.L.
登録日2019-07-26
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Casein kinase 1 dynamics underlie substrate selectivity and the PER2 circadian phosphoswitch.
Elife, 9, 2020
6PXP
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BU of 6pxp by Molmil
Human Casein Kinase 1 delta Site 2 mutant (K171E)
分子名称: Casein kinase I isoform delta, SULFATE ION
著者Yee, L, Philpott, J.M, Tripathi, S.M, Partch, C.L.
登録日2019-07-26
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Casein kinase 1 dynamics underlie substrate selectivity and the PER2 circadian phosphoswitch.
Elife, 9, 2020

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