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4OW6
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BU of 4ow6 by Molmil
Crystal structure of Diphtheria Toxin at acidic pH
Descriptor: Diphtheria toxin
Authors:Leka, O, Vallese, F, Pirazzini, M, Berto, P, Montecucco, C, Zanotti, G.
Deposit date:2014-01-31
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Diphtheria toxin conformational switching at acidic pH.
Febs J., 281, 2014
2TDX
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BU of 2tdx by Molmil
DIPHTHERIA TOX REPRESSOR (C102D MUTANT) COMPLEXED WITH NICKEL
Descriptor: DIPHTHERIA TOX REPRESSOR, NICKEL (II) ION
Authors:White, A, Ding, X, Zheng, H, Schiering, N, Ringe, D, Murphy, J.R.
Deposit date:1998-06-22
Release date:1998-10-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the metal-ion-activated diphtheria toxin repressor/tox operator complex.
Nature, 394, 1998
8QBH
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BU of 8qbh by Molmil
AntI in complex with 1-Naphthol
Descriptor: 1-NAPHTHOL, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17
Authors:Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M.
Deposit date:2023-08-24
Release date:2024-03-13
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 11, 2024
5K8E
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BU of 5k8e by Molmil
Xylooligosaccharide oxidase from Myceliophthora thermophila C1
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rozeboom, H.J, Ferrari, A.R, Fraaije, M.W.
Deposit date:2016-05-30
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of a Xylooligosaccharide Oxidase from Myceliophthora thermophila C1.
J.Biol.Chem., 291, 2016
5L6F
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Xylooligosaccharide oxidase from Myceliophthora thermophila C1 in complex with Xylobiose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Rozeboom, H.J, Ferrari, A.R, Fraaije, M.W.
Deposit date:2016-05-30
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Xylooligosaccharide Oxidase from Myceliophthora thermophila C1.
J.Biol.Chem., 291, 2016
8GDS
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CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH 4-(4-(2-(2,3-DIHYDRO-1H- INDOL-1-YL)-2-OXOETHYL)PHENYL)-1(2H)-PHTHALAZINONE
Descriptor: 4-{4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]phenyl}phthalazin-1(2H)-one, Rho-associated protein kinase 2, SULFATE ION
Authors:Muckelbauer, J.K.
Deposit date:2023-03-06
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Phthalazinone-based lactams and cyclic ureas as ROCK2 selective inhibitors.
Bioorg.Med.Chem.Lett., 88, 2023
7K7E
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BU of 7k7e by Molmil
Crystal structure of diphtheria toxin from crystals obtained at pH 7.0
Descriptor: Diphtheria toxin
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Rodnin, M.V, Ladokhin, A.S.
Deposit date:2020-09-22
Release date:2020-11-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Diphtheria Toxin at Acidic pH: Implications for the Conformational Switching of the Translocation Domain.
Toxins, 12, 2020
7K7D
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BU of 7k7d by Molmil
Crystal structure of diphtheria toxin from crystals obtained at pH 6.0
Descriptor: Diphtheria toxin
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Rodnin, M.V, Ladokhin, A.S.
Deposit date:2020-09-22
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the Diphtheria Toxin at Acidic pH: Implications for the Conformational Switching of the Translocation Domain.
Toxins, 12, 2020
5L6G
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BU of 5l6g by Molmil
Xylooligosaccharide oxidase from Myceliophthora thermophila C1 in complex with Xylose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FAD linked oxidase-like protein, ...
Authors:Rozeboom, H.J, Ferrari, A.R, Fraaije, M.W.
Deposit date:2016-05-30
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of a Xylooligosaccharide Oxidase from Myceliophthora thermophila C1.
J.Biol.Chem., 291, 2016
7K7B
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BU of 7k7b by Molmil
Crystal structure of diphtheria toxin from crystals obtained at pH 5.0
Descriptor: Diphtheria toxin
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Rodnin, M.V, Ladokhin, A.S.
Deposit date:2020-09-22
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the Diphtheria Toxin at Acidic pH: Implications for the Conformational Switching of the Translocation Domain.
Toxins, 12, 2020
7K7C
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BU of 7k7c by Molmil
Crystal structure of diphtheria toxin from crystals obtained at pH 5.5
Descriptor: Diphtheria toxin
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Rodnin, M.V, Ladokhin, A.S.
Deposit date:2020-09-22
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the Diphtheria Toxin at Acidic pH: Implications for the Conformational Switching of the Translocation Domain.
Toxins, 12, 2020
5FI8
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BU of 5fi8 by Molmil
Crystal structure of plasmodium falciparum dihydroorotate dehydrogenase bounded with DSM422 (Tetrahydro-2-naphthyl and 2-indanyl triazolopyrimidine)
Descriptor: 2-[1,1-bis(fluoranyl)ethyl]-~{N}-[(2~{S})-7-bromanyl-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Deng, X, Kokkonda, S, Tomchick, D, Phillips, M.
Deposit date:2015-12-22
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Tetrahydro-2-naphthyl and 2-Indanyl Triazolopyrimidines Targeting Plasmodium falciparum Dihydroorotate Dehydrogenase Display Potent and Selective Antimalarial Activity.
J.Med.Chem., 59, 2016
3B8Q
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BU of 3b8q by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a naphthamide inhibitor
Descriptor: N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide, Vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Long, A.M, Gu, Y, Zhao, H.
Deposit date:2007-11-01
Release date:2008-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Naphthamides as Novel and Potent Vascular Endothelial Growth Factor Receptor Tyrosine Kinase Inhibitors: Design, Synthesis and Evaluation
J.Med.Chem., 51, 2008
4I52
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BU of 4i52 by Molmil
scMenB im complex with 1-hydroxy-2-naphthoyl-CoA
Descriptor: 1-hydroxy-2-naphthoyl-CoA, CHLORIDE ION, Naphthoate synthase
Authors:Song, H.G, Sun, Y.R, Li, J, Li, Y, Jiang, M, Zhou, J.H, Guo, Z.H.
Deposit date:2012-11-28
Release date:2013-05-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis of the induced-fit mechanism of 1,4-dihydroxy-2-naphthoyl coenzyme a synthase from the crotonase fold superfamily
Plos One, 8, 2013
1U6Q
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BU of 1u6q by Molmil
Substituted 2-Naphthamadine inhibitors of Urokinase
Descriptor: TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-2-CARBOXAMIDINE, Urokinase-type plasminogen activator
Authors:Bruncko, M, McClellan, W, Wendt, M.D, Sauer, D.R, Geyer, A, Dalton, C.R, Kaminski, M.K, Nienaber, V.L, Rockway, T.R, Giranda, V.L.
Deposit date:2004-07-30
Release date:2004-10-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties.
Bioorg.Med.Chem.Lett., 15, 2005
3P9J
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BU of 3p9j by Molmil
Aurora A kinase domain with phthalazinone pyrazole inhibitor
Descriptor: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2H)-one, Serine/threonine-protein kinase 6
Authors:Kairies, N.A, Oliveira, T, Engh, R.A.
Deposit date:2010-10-17
Release date:2011-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Phthalazinone pyrazoles as potent, selective, and orally bioavailable inhibitors of aurora-a kinase.
J.Med.Chem., 54, 2011
1QVP
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BU of 1qvp by Molmil
C terminal SH3-like domain from Diphtheria toxin Repressor residues 144-226.
Descriptor: Diphtheria toxin repressor
Authors:Wylie, G.P, Rangachari, V, Bienkiewicz, E.A, Marin, V, Bhattacharya, N, Love, J.F, Murphy, J.R, Logan, T.M.
Deposit date:2003-08-28
Release date:2004-11-02
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Prolylpeptide binding by the prokaryotic SH3-like domain of the diphtheria toxin repressor: a regulatory switch.
Biochemistry, 44, 2005
2PIA
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BU of 2pia by Molmil
PHTHALATE DIOXYGENASE REDUCTASE: A MODULAR STRUCTURE FOR ELECTRON TRANSFER FROM PYRIDINE NUCLEOTIDES TO [2FE-2S]
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, PHTHALATE DIOXYGENASE REDUCTASE
Authors:Correll, C.C, Batie, C.J, Ballou, D.P, Ludwig, M.L.
Deposit date:1993-02-15
Release date:1993-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phthalate dioxygenase reductase: a modular structure for electron transfer from pyridine nucleotides to [2Fe-2S].
Science, 258, 1992
6J8L
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BU of 6j8l by Molmil
Phytophthora sojae effector PsAvh240 inhibits a host aspartic protease secretion to promote infection
Descriptor: Avh240, SULFATE ION
Authors:Guo, B.
Deposit date:2019-01-19
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Phytophthora sojae Effector PsAvh240 Inhibits Host Aspartic Protease Secretion to Promote Infection.
Mol Plant, 12, 2019
1DPR
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BU of 1dpr by Molmil
STRUCTURES OF THE APO-AND METAL ION ACTIVATED FORMS OF THE DIPHTHERIA TOX REPRESSOR FROM CORYNEBACTERIUM DIPHTHERIAE
Descriptor: DIPHTHERIA TOX REPRESSOR
Authors:Schiering, N, Tao, X, Murphy, J, Petsko, G.A, Ringe, D.
Deposit date:1995-02-06
Release date:1995-09-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of the apo- and the metal ion-activated forms of the diphtheria tox repressor from Corynebacterium diphtheriae.
Proc.Natl.Acad.Sci.USA, 92, 1995
1DDN
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BU of 1ddn by Molmil
DIPHTHERIA TOX REPRESSOR (C102D MUTANT)/TOX DNA OPERATOR COMPLEX
Descriptor: 33 BASE DNA CONTAINING TOXIN OPERATOR, DIPHTHERIA TOX REPRESSOR, NICKEL (II) ION
Authors:White, A, Ding, X, Vanderspek, J.C, Murphy, J.R, Ringe, D.
Deposit date:1998-06-23
Release date:1998-10-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the metal-ion-activated diphtheria toxin repressor/tox operator complex.
Nature, 394, 1998
7V25
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BU of 7v25 by Molmil
Crystal Structure of phthalate dioxygenase in complex with phthalate
Descriptor: FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, PHTHALIC ACID, ...
Authors:Mahto, J.K, Kumar, P.
Deposit date:2021-08-07
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni.
J.Biol.Chem., 297, 2021
7V28
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BU of 7v28 by Molmil
Crystal Structure of phthalate dioxygenase in complex with terephthalate
Descriptor: FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, Rieske (2Fe-2S) domain protein, ...
Authors:Mahto, J.K, Kumar, P.
Deposit date:2021-08-07
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni.
J.Biol.Chem., 297, 2021
1G0N
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BU of 1g0n by Molmil
STRUCTURE OF TRIHYDROXYNAPHTHALENE REDUCTASE IN COMPLEX WITH NADPH AND 4,5,6,7-TETRACHLORO-PHTHALIDE
Descriptor: 4,5,6,7-TETRACHLORO-PHTHALIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIHYDROXYNAPHTHALENE REDUCTASE
Authors:Liao, D, Basarab, G.S, Gatenby, A.A, Valent, B, Jordan, D.B.
Deposit date:2000-10-06
Release date:2001-06-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of trihydroxynaphthalene reductase-fungicide complexes: implications for structure-based design and catalysis.
Structure, 9, 2001
1BI2
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BU of 1bi2 by Molmil
STRUCTURE OF APO-AND HOLO-DIPHTHERIA TOXIN REPRESSOR
Descriptor: DIPHTHERIA TOXIN REPRESSOR
Authors:Pohl, E, Hol, W.G.J.
Deposit date:1998-06-21
Release date:1999-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Motion of the DNA-binding domain with respect to the core of the diphtheria toxin repressor (DtxR) revealed in the crystal structures of apo- and holo-DtxR.
J.Biol.Chem., 273, 1998

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