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8ADJ
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BU of 8adj by Molmil
Poly(ADP-ribose) glycohydrolase (PARG) from Drosophila melanogaster in complex with PARG inhibitor PDD00017272
分子名称: 1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide, CHLORIDE ION, GLYCEROL, ...
著者Ariza, A, Fontana, P.
登録日2022-07-08
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.508 Å)
主引用文献Serine ADP-ribosylation in Drosophila provides insights into the evolution of reversible ADP-ribosylation signalling.
Nat Commun, 14, 2023
2MYS
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BU of 2mys by Molmil
MYOSIN SUBFRAGMENT-1, ALPHA CARBON COORDINATES ONLY FOR THE TWO LIGHT CHAINS
分子名称: MAGNESIUM ION, MYOSIN, SULFATE ION
著者Rayment, I, Holden, H.M.
登録日1996-06-27
公開日1997-01-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Three-dimensional structure of myosin subfragment-1: a molecular motor.
Science, 261, 1993
2H1Z
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BU of 2h1z by Molmil
Structure of a dual-target spider toxin
分子名称: Hybrid atracotoxin
著者Sollod, B.L, Maciejewski, M.W, KIng, G.F.
登録日2006-05-17
公開日2007-05-22
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献A dual-target, self-synergizing toxin from spider venom
To be Published
6ZYO
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BU of 6zyo by Molmil
Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine D-syn-1b
分子名称: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-02
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
6ZYR
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BU of 6zyr by Molmil
Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b
分子名称: (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-02
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
6ZYS
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BU of 6zys by Molmil
Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b
分子名称: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-02
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.87000954 Å)
主引用文献2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
6ZYN
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BU of 6zyn by Molmil
Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine L-anti-1b
分子名称: (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-02
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4000138 Å)
主引用文献2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
6ZYQ
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BU of 6zyq by Molmil
Structure of NDM-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b
分子名称: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-02
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
6ZYP
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BU of 6zyp by Molmil
Structure of NDM-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b
分子名称: (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-02
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
6FY5
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BU of 6fy5 by Molmil
Crystal structure of the macro domain of human macroh2a2
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Core histone macro-H2A.2
著者Hothorn, M.
登録日2018-03-10
公開日2018-04-04
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献MacroH2A histone variants limit chromatin plasticity through two distinct mechanisms.
EMBO Rep., 19, 2018
1AXH
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BU of 1axh by Molmil
ATRACOTOXIN-HVI FROM HADRONYCHE VERSUTA (AUSTRALIAN FUNNEL-WEB SPIDER, NMR, 20 STRUCTURES
分子名称: ATRACOTOXIN-HVI
著者Fletcher, J.I, O'Donoghue, S.I, Nilges, M, King, G.F.
登録日1996-11-04
公開日1997-11-12
最終更新日2021-02-03
実験手法SOLUTION NMR
主引用文献The structure of a novel insecticidal neurotoxin, omega-atracotoxin-HV1, from the venom of an Australian funnel web spider.
Nat.Struct.Biol., 4, 1997
1FV9
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BU of 1fv9 by Molmil
Crystal structure of human microurokinase in complex with 2-amino-5-hydroxy-benzimidazole
分子名称: 2-AMINO-5-HYDROXY-BENZIMIDAZOLE, SULFATE ION, UROKINASE
著者Nienaber, V.
登録日2000-09-19
公開日2000-10-18
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification of novel inhibitors of urokinase via NMR-based screening.
J.Med.Chem., 43, 2000
1G9P
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BU of 1g9p by Molmil
SOLUTION STRUCTURE OF THE INSECTICIDAL CALCIUM CHANNEL BLOCKER OMEGA-ATRACOTOXIN-HV2A
分子名称: OMEGA-ATRACOTOXIN-HV2A
著者Wang, X.-H, King, G.F.
登録日2000-11-27
公開日2002-02-21
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Discovery and structure of a potent and highly specific blocker of insect calcium channels.
J.Biol.Chem., 276, 2001
1HVW
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BU of 1hvw by Molmil
HAIRPINLESS MUTANT OF OMEGA-ATRACOTOXIN-HV1A
分子名称: OMEGA-ATRACOTOXIN-HV1A
著者Fletcher, J.I, King, G.F.
登録日2001-01-08
公開日2001-01-17
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Functional significance of the beta hairpin in the insecticidal neurotoxin omega-atracotoxin-Hv1a.
J.Biol.Chem., 276, 2001
1MMA
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BU of 1mma by Molmil
X-RAY STRUCTURES OF THE MGADP, MGATPGAMMAS, AND MGAMPPNP COMPLEXES OF THE DICTYOSTELIUM DISCOIDEUM MYOSIN MOTOR DOMAIN
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MYOSIN
著者Gulick, A.M, Bauer, C.B, Thoden, J.B, Rayment, I.
登録日1997-07-18
公開日1997-12-03
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray structures of the MgADP, MgATPgammaS, and MgAMPPNP complexes of the Dictyostelium discoideum myosin motor domain.
Biochemistry, 36, 1997
1MMG
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BU of 1mmg by Molmil
X-RAY STRUCTURES OF THE MGADP, MGATPGAMMAS, AND MGAMPPNP COMPLEXES OF THE DICTYOSTELIUM DISCOIDEUM MYOSIN MOTOR DOMAIN
分子名称: MAGNESIUM ION, MYOSIN, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Gulick, A.M, Bauer, C.B, Thoden, J.B, Rayment, I.
登録日1997-07-18
公開日1997-12-03
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray structures of the MgADP, MgATPgammaS, and MgAMPPNP complexes of the Dictyostelium discoideum myosin motor domain.
Biochemistry, 36, 1997
1MMN
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BU of 1mmn by Molmil
X-RAY STRUCTURES OF THE MGADP, MGATPGAMMAS, AND MGAMPPNP COMPLEXES OF THE DICTYOSTELIUM DISCOIDEUM MYOSIN MOTOR DOMAIN
分子名称: MAGNESIUM ION, MYOSIN, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Gulick, A.M, Bauer, C.B, Thoden, J.B, Rayment, I.
登録日1997-07-18
公開日1997-12-03
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray structures of the MgADP, MgATPgammaS, and MgAMPPNP complexes of the Dictyostelium discoideum myosin motor domain.
Biochemistry, 36, 1997
5VLR
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BU of 5vlr by Molmil
CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A TRIFLUORO-ETHYL-PYRAZOL-PYROLOTRIAZINE INHIBITOR
分子名称: 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Sack, J.S.
登録日2017-04-26
公開日2017-06-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase delta (PI3K delta ) Inhibitor for the Treatment of Immunological Disorders.
J. Med. Chem., 60, 2017
3BZ9
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BU of 3bz9 by Molmil
Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II
分子名称: (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ...
著者Allingham, J.S, Rayment, I.
登録日2008-01-17
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design.
Org.Biomol.Chem., 6, 2008
3BZ8
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BU of 3bz8 by Molmil
Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II
分子名称: (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ...
著者Allingham, J.S, Rayment, I.
登録日2008-01-17
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design.
Org.Biomol.Chem., 6, 2008
3BZ7
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BU of 3bz7 by Molmil
Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II
分子名称: (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Allingham, J.S, Rayment, I.
登録日2008-01-17
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design.
Org.Biomol.Chem., 6, 2008
1I84
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BU of 1i84 by Molmil
CRYO-EM STRUCTURE OF THE HEAVY MEROMYOSIN SUBFRAGMENT OF CHICKEN GIZZARD SMOOTH MUSCLE MYOSIN WITH REGULATORY LIGHT CHAIN IN THE DEPHOSPHORYLATED STATE. ONLY C ALPHAS PROVIDED FOR REGULATORY LIGHT CHAIN. ONLY BACKBONE ATOMS PROVIDED FOR S2 FRAGMENT.
分子名称: SMOOTH MUSCLE MYOSIN ESSENTIAL LIGHT CHAIN, SMOOTH MUSCLE MYOSIN HEAVY CHAIN, SMOOTH MUSCLE MYOSIN REGULATORY LIGHT CHAIN
著者Wendt, T, Taylor, D, Trybus, K.M, Taylor, K.
登録日2001-03-12
公開日2001-03-28
最終更新日2022-12-21
実験手法ELECTRON CRYSTALLOGRAPHY (20 Å)
主引用文献Three-dimensional image reconstruction of dephosphorylated smooth muscle heavy meromyosin reveals asymmetry in the interaction between myosin heads and placement of subfragment 2.
Proc.Natl.Acad.Sci.USA, 98, 2001
1D6B
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BU of 1d6b by Molmil
SOLUTION STRUCTURE OF DEFENSIN-LIKE PEPTIDE-2 (DLP-2) FROM PLATYPUS VENOM
分子名称: DEFENSIN-LIKE PEPTIDE-2
著者Torres, A.M, De Plater, G.M, Doverskog, M, C Birinyi-Strachan, L, Nicholson, G.M, Gallagher, C.H, Kuchel, P.W.
登録日1999-10-12
公開日2000-06-21
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Defensin-like peptide-2 from platypus venom: member of a class of peptides with a distinct structural fold.
Biochem.J., 348, 2000
4PED
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BU of 4ped by Molmil
Mitochondrial ADCK3 employs an atypical protein kinase-like fold to enable coenzyme Q biosynthes
分子名称: Chaperone activity of bc1 complex-like, mitochondrial, SULFATE ION
著者Bingman, C.A, Smith, R, Joshi, S, Stefely, J.A, Reidenbach, A.G, Ulbrich, A, Oruganty, O, Floyd, B.J, Jochem, A, Saunders, J.M, Johnson, I.E, Wrobel, R.L, Barber, G.E, Lee, D, Li, S, Kannan, N, Coon, J.J, Pagliarini, D.J, Mitochondrial Protein Partnership (MPP)
登録日2014-04-22
公開日2014-11-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Mitochondrial ADCK3 Employs an Atypical Protein Kinase-like Fold to Enable Coenzyme Q Biosynthesis.
Mol.Cell, 57, 2015
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