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6ZYP
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BU of 6zyp by Molmil
Structure of NDM-1 with 2-Mercaptomethyl-thiazolidine L-anti-1b
Descriptor: (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2020-08-02
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2020-08-02
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
5E95
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BU of 5e95 by Molmil
Crystal Structure of Mb(NS1)/H-Ras Complex
Descriptor: GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Eguchi, R.R, Sha, F, Gupta, A, Koide, A, Koide, S.
Deposit date:2015-10-14
Release date:2016-11-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.402 Å)
Cite:Inhibition of RAS function through targeting an allosteric regulatory site.
Nat. Chem. Biol., 13, 2017
5JO3
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BU of 5jo3 by Molmil
PDE5A for NaV1.7
Descriptor: 1-(5-chloro-6-methoxypyridin-3-yl)-3-methyl-N-(methylsulfonyl)-1H-indazole-5-carboxamide, ZINC ION, cGMP-specific 3',5'-cyclic phosphodiesterase
Authors:Storer, I, Chrencik, J.
Deposit date:2016-05-01
Release date:2017-05-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:PDE5A for NaV1.7
To be published
1HP3
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BU of 1hp3 by Molmil
C-TERMINAL TRUNCATION OF OMEGA-ATRACOTOXIN-HV2A (CT-HV2A)
Descriptor: OMEGA-ATRACOTOXIN-HV2A
Authors:Wang, X.-H, King, G.F.
Deposit date:2000-12-12
Release date:2002-12-11
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Discovery and structure of a potent and highly specific blocker of insect calcium channels
J.Biol.Chem., 276, 2001
1C4E
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BU of 1c4e by Molmil
GURMARIN FROM GYMNEMA SYLVESTRE
Descriptor: PROTEIN (GURMARIN)
Authors:Fletcher, J.I, Dingley, A.J, King, G.F.
Deposit date:1999-07-27
Release date:1999-08-27
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:High-resolution solution structure of gurmarin, a sweet-taste-suppressing plant polypeptide.
Eur.J.Biochem., 264, 1999
7KD8
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BU of 7kd8 by Molmil
TtgR C137I I141W M167L F168Y mutant in complex with resveratrol
Descriptor: HTH-type transcriptional regulator TtgR, MAGNESIUM ION, RESVERATROL
Authors:Bingman, C.A, Nishikawa, K.K, Smith, R.W, Raman, S.
Deposit date:2020-10-08
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Epistasis shapes the fitness landscape of an allosteric specificity switch.
Nat Commun, 12, 2021
7K1A
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BU of 7k1a by Molmil
TtgR quadruple mutant (C137I I141W M167L F168Y)
Descriptor: HTH-type transcriptional regulator TtgR, MAGNESIUM ION
Authors:Bingman, C.A, Nishikawa, K.K, Smith, R.W, Raman, S.
Deposit date:2020-09-07
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Epistasis shapes the fitness landscape of an allosteric specificity switch.
Nat Commun, 12, 2021
7K1C
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BU of 7k1c by Molmil
TtgR in complex with resveratrol
Descriptor: HTH-type transcriptional regulator TtgR, MAGNESIUM ION, RESVERATROL
Authors:Bingman, C.A, Nishikawa, K.K, Smith, R.W, Raman, S.
Deposit date:2020-09-07
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Epistasis shapes the fitness landscape of an allosteric specificity switch.
Nat Commun, 12, 2021
6FY5
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BU of 6fy5 by Molmil
Crystal structure of the macro domain of human macroh2a2
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Core histone macro-H2A.2
Authors:Hothorn, M.
Deposit date:2018-03-10
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: ATRACOTOXIN-HVI
Authors:Fletcher, J.I, O'Donoghue, S.I, Nilges, M, King, G.F.
Deposit date:1996-11-04
Release date:1997-11-12
Last modified:2021-02-03
Method:SOLUTION NMR
Cite:The structure of a novel insecticidal neurotoxin, omega-atracotoxin-HV1, from the venom of an Australian funnel web spider.
Nat.Struct.Biol., 4, 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
Descriptor: MAGNESIUM ION, MYOSIN, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Gulick, A.M, Bauer, C.B, Thoden, J.B, Rayment, I.
Deposit date:1997-07-18
Release date:1997-12-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray structures of the MgADP, MgATPgammaS, and MgAMPPNP complexes of the Dictyostelium discoideum myosin motor domain.
Biochemistry, 36, 1997
1DL0
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BU of 1dl0 by Molmil
SOLUTION STRUCTURE OF THE INSECTICIDAL NEUROTOXIN J-ATRACOTOXIN-HV1C
Descriptor: J-ATRACOTOXIN-HV1C
Authors:Wang, X.H, King, G.F.
Deposit date:1999-12-08
Release date:2000-09-15
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Discovery and characterization of a family of insecticidal neurotoxins with a rare vicinal disulfide bridge.
Nat.Struct.Biol., 7, 2000
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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MYOSIN
Authors:Gulick, A.M, Bauer, C.B, Thoden, J.B, Rayment, I.
Deposit date:1997-07-18
Release date:1997-12-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: MAGNESIUM ION, MYOSIN, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Gulick, A.M, Bauer, C.B, Thoden, J.B, Rayment, I.
Deposit date:1997-07-18
Release date:1997-12-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:X-ray structures of the MgADP, MgATPgammaS, and MgAMPPNP complexes of the Dictyostelium discoideum myosin motor domain.
Biochemistry, 36, 1997
1HVW
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BU of 1hvw by Molmil
HAIRPINLESS MUTANT OF OMEGA-ATRACOTOXIN-HV1A
Descriptor: OMEGA-ATRACOTOXIN-HV1A
Authors:Fletcher, J.I, King, G.F.
Deposit date:2001-01-08
Release date:2001-01-17
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Functional significance of the beta hairpin in the insecticidal neurotoxin omega-atracotoxin-Hv1a.
J.Biol.Chem., 276, 2001
2MYS
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BU of 2mys by Molmil
MYOSIN SUBFRAGMENT-1, ALPHA CARBON COORDINATES ONLY FOR THE TWO LIGHT CHAINS
Descriptor: MAGNESIUM ION, MYOSIN, SULFATE ION
Authors:Rayment, I, Holden, H.M.
Deposit date:1996-06-27
Release date:1997-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Three-dimensional structure of myosin subfragment-1: a molecular motor.
Science, 261, 1993
1FV9
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BU of 1fv9 by Molmil
Crystal structure of human microurokinase in complex with 2-amino-5-hydroxy-benzimidazole
Descriptor: 2-AMINO-5-HYDROXY-BENZIMIDAZOLE, SULFATE ION, UROKINASE
Authors:Nienaber, V.
Deposit date:2000-09-19
Release date:2000-10-18
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: OMEGA-ATRACOTOXIN-HV2A
Authors:Wang, X.-H, King, G.F.
Deposit date:2000-11-27
Release date:2002-02-21
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Discovery and structure of a potent and highly specific blocker of insect calcium channels.
J.Biol.Chem., 276, 2001
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.
Descriptor: SMOOTH MUSCLE MYOSIN ESSENTIAL LIGHT CHAIN, SMOOTH MUSCLE MYOSIN HEAVY CHAIN, SMOOTH MUSCLE MYOSIN REGULATORY LIGHT CHAIN
Authors:Wendt, T, Taylor, D, Trybus, K.M, Taylor, K.
Deposit date:2001-03-12
Release date:2001-03-28
Last modified:2022-12-21
Method:ELECTRON CRYSTALLOGRAPHY (20 Å)
Cite: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
4PED
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BU of 4ped by Molmil
Mitochondrial ADCK3 employs an atypical protein kinase-like fold to enable coenzyme Q biosynthes
Descriptor: Chaperone activity of bc1 complex-like, mitochondrial, SULFATE ION
Authors: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)
Deposit date:2014-04-22
Release date:2014-11-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Mitochondrial ADCK3 Employs an Atypical Protein Kinase-like Fold to Enable Coenzyme Q Biosynthesis.
Mol.Cell, 57, 2015
2H1Z
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BU of 2h1z by Molmil
Structure of a dual-target spider toxin
Descriptor: Hybrid atracotoxin
Authors:Sollod, B.L, Maciejewski, M.W, KIng, G.F.
Deposit date:2006-05-17
Release date:2007-05-22
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:A dual-target, self-synergizing toxin from spider venom
To be Published
3BZ9
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BU of 3bz9 by Molmil
Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II
Descriptor: (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Allingham, J.S, Rayment, I.
Deposit date:2008-01-17
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: (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, ...
Authors:Allingham, J.S, Rayment, I.
Deposit date:2008-01-17
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design.
Org.Biomol.Chem., 6, 2008
1D6B
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BU of 1d6b by Molmil
SOLUTION STRUCTURE OF DEFENSIN-LIKE PEPTIDE-2 (DLP-2) FROM PLATYPUS VENOM
Descriptor: DEFENSIN-LIKE PEPTIDE-2
Authors:Torres, A.M, De Plater, G.M, Doverskog, M, C Birinyi-Strachan, L, Nicholson, G.M, Gallagher, C.H, Kuchel, P.W.
Deposit date:1999-10-12
Release date:2000-06-21
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Defensin-like peptide-2 from platypus venom: member of a class of peptides with a distinct structural fold.
Biochem.J., 348, 2000

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