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3KQ6
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Enhancing the Therapeutic Properties of a Protein by a Designed Zinc-Binding Site, Structural principles of a novel long-acting insulin analog
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Wan, Z.L, Hu, S.Q, Whittaker, L, Phillips, N.B, Whittake, J, Ismail-Beigi, F, Weiss, M.A.
Deposit date:2009-11-17
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Supramolecular protein engineering: design of zinc-stapled insulin hexamers as a long acting depot.
J.Biol.Chem., 285, 2010
1O5W
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The structure basis of specific recognitions for substrates and inhibitors of rat monoamine oxidase A
Descriptor: Amine oxidase [flavin-containing] A, FLAVIN-ADENINE DINUCLEOTIDE, N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE
Authors:Ma, J, Yoshimura, M, Yamashita, E, Nakagawa, A, Ito, A, Tsukihara, T.
Deposit date:2003-10-06
Release date:2004-04-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of rat monoamine oxidase a and its specific recognitions for substrates and inhibitors.
J.Mol.Biol., 338, 2004
1XKM
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BU of 1xkm by Molmil
NMR structure of antimicrobial peptide distinctin in water
Descriptor: Distinctin chain A, Distinctin chain B
Authors:Amodeo, P, Raimondo, D, Andreotti, G, Motta, A, Scaloni, A.
Deposit date:2004-09-29
Release date:2005-04-05
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:A folding-dependent mechanism of antimicrobial peptide resistance to degradation unveiled by solution structure of distinctin.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1KOS
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SOLUTION NMR STRUCTURE OF AN ANALOG OF THE YEAST TRNA PHE T STEM LOOP CONTAINING RIBOTHYMIDINE AT ITS NATURALLY OCCURRING POSITION
Descriptor: 5'-R(*CP*UP*GP*UP*GP*(5MU)P*UP*CP*GP*AP*UP*(CH)P*CP*AP*CP*AP*G)- 3'
Authors:Koshlap, K.M, Guenther, R, Sochacka, E, Malkiewicz, A, Agris, P.F.
Deposit date:1999-05-03
Release date:1999-10-22
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:A distinctive RNA fold: the solution structure of an analogue of the yeast tRNAPhe T Psi C domain.
Biochemistry, 38, 1999
5B5Z
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Crystal structure of PtLCIB4 H88A mutant, a homolog of the limiting CO2-inducible protein LCIB
Descriptor: PtLCIB4 H88A mutant, ZINC ION
Authors:Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Caja, O.M, Gao, Y.
Deposit date:2016-05-24
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5TBO
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Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM421
Descriptor: 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Deng, X, Phillips, M.
Deposit date:2016-09-12
Release date:2016-09-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:A Triazolopyrimidine-Based Dihydroorotate Dehydrogenase Inhibitor with Improved Drug-like Properties for Treatment and Prevention of Malaria.
ACS Infect Dis, 2, 2016
1KWJ
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BU of 1kwj by Molmil
solution structure determination of the fully oxidized double mutant K9-10A cytochrome c7 from Desulfuromonas acetoxidans, minimized average structure
Descriptor: HEME C, cytochrome c7
Authors:Assfalg, M, Bertini, I, Turano, P, Bruschi, M, Durand, M.C, Giudici-Orticoni, M.T, Dolla, A.
Deposit date:2002-01-29
Release date:2002-02-06
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:A quick solution structure determination of the fully oxidized double mutant K9-10A cytochrome c7 from Desulfuromonas acetoxidans and mechanistic implications.
J.Biomol.NMR, 22, 2002
5B60
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Crystal structure of PtLCIB4 S47R mutant, a homolog of the limiting CO2-inducible protein LCIB
Descriptor: CHLORIDE ION, PtLCIB4 S47R mutant, ZINC ION
Authors:Jin, S, Sun, J, Wunder, T, Tang, D, Mueller-Caja, O.M, Gao, Y.
Deposit date:2016-05-24
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into the LCIB protein family reveals a new group of beta-carbonic anhydrases
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
4KUF
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BU of 4kuf by Molmil
Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134 mutant with MTSEA modified Cys-165 causing stretch disorder
Descriptor: (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, ...
Authors:Stura, E.A, Vera, L, Ptchelkine, D, Bakirci, H, Garcia, S, Dive, V.
Deposit date:2013-05-22
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:Covalent modification of the active site cysteine stresses Clostridium botulinum neurotoxin A
To be Published
1MSO
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BU of 1mso by Molmil
T6 Human Insulin at 1.0 A Resolution
Descriptor: Insulin A-Chain, Insulin B-Chain, ZINC ION
Authors:Smith, G.D, Pangborn, W.A, Blessing, R.H.
Deposit date:2002-09-19
Release date:2003-03-04
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1 Å)
Cite:The structure of T6 human insulin at 1.0 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
4Y73
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BU of 4y73 by Molmil
Crystal structure of IRAK4 kinase domain with inhibitor
Descriptor: 5-{[(1R,2S)-2-aminocyclohexyl]amino}-N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Interleukin-1 receptor-associated kinase 4
Authors:Lesburg, C.A.
Deposit date:2015-02-13
Release date:2015-05-20
Last modified:2015-07-15
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Discovery of 5-Amino-N-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Inhibitors of IRAK4.
Acs Med.Chem.Lett., 6, 2015
3N3K
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BU of 3n3k by Molmil
The catalytic domain of USP8 in complex with a USP8 specific inhibitor
Descriptor: Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 8, ZINC ION
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Allali-Hassani, A, Lam, R, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2010-05-20
Release date:2010-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
4BKK
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The Respiratory Syncytial Virus nucleoprotein-RNA complex forms a left-handed helical nucleocapsid.
Descriptor: NUCLEOPROTEIN, RNA (161-MER)
Authors:Bakker, S.E, Duquerroy, S, Galloux, M, Loney, C, Conner, E, Eleouet, J.F, Rey, F.A, Bhella, D.
Deposit date:2013-04-26
Release date:2013-10-30
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY
Cite:The Respiratory Syncytial Virus Nucleoprotein-RNA Complex Forms a Left-Handed Helical Nucleocapsid.
J.Gen.Virol., 94, 2013
3HTC
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BU of 3htc by Molmil
THE STRUCTURE OF A COMPLEX OF RECOMBINANT HIRUDIN AND HUMAN ALPHA-THROMBIN
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUDIN VARIANT 2
Authors:Tulinsky, A, Rydel, T.J, Ravichandran, K.G, Huber, R, Bode, W.
Deposit date:1993-06-11
Release date:1994-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of a complex of recombinant hirudin and human alpha-thrombin.
Science, 249, 1990
6A75
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BU of 6a75 by Molmil
Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.75 A resolution
Descriptor: CHLORIDE ION, DEPHOSPHO COENZYME A, MAGNESIUM ION, ...
Authors:Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2018-07-02
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.75 A resolution
To Be Published
5T6N
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BU of 5t6n by Molmil
Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin in complex with the antiviral drug arbidol
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Kadam, R.U, Wilson, I.A.
Deposit date:2016-09-01
Release date:2017-01-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.541 Å)
Cite:Structural basis of influenza virus fusion inhibition by the antiviral drug Arbidol.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1MLA
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BU of 1mla by Molmil
THE ESCHERICHIA COLI MALONYL-COA:ACYL CARRIER PROTEIN TRANSACYLASE AT 1.5-ANGSTROMS RESOLUTION. CRYSTAL STRUCTURE OF A FATTY ACID SYNTHASE COMPONENT
Descriptor: MALONYL-COENZYME A ACYL CARRIER PROTEIN TRANSACYLASE
Authors:Serre, L, Verbree, E.C, Dauter, Z, Stuitje, A.R, Derewenda, Z.S.
Deposit date:1995-01-25
Release date:1996-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Escherichia coli malonyl-CoA:acyl carrier protein transacylase at 1.5-A resolution. Crystal structure of a fatty acid synthase component.
J.Biol.Chem., 270, 1995
4N64
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BU of 4n64 by Molmil
Crystal structure of hemagglutinin from an H7N9 influenza virus in complex with a biantennary glycan receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
Authors:Xu, R, Wilson, I.A.
Deposit date:2013-10-11
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7014 Å)
Cite:Preferential recognition of avian-like receptors in human influenza A H7N9 viruses.
Science, 342, 2013
2BHW
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BU of 2bhw by Molmil
PEA LIGHT-HARVESTING COMPLEX II AT 2.5 ANGSTROM RESOLUTION
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-OCTADECAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Standfuss, J, Terwisscha van Scheltinga, A.C, Lamborghini, M, Kuehlbrandt, W.
Deposit date:2005-01-19
Release date:2006-05-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanisms of Photoprotection and Nonphotochemical Quenching in Pea Light-Harvesting Complex at 2.5 A Resolution.
Embo J., 24, 2005
4K3Y
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Crystal structure of a subtype N11 neuraminidase-like protein of A/flat-faced bat/Peru/033/2010 (H18N11)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2013-04-11
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.682 Å)
Cite:New world bats harbor diverse influenza a viruses.
Plos Pathog., 9, 2013
1LIQ
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BU of 1liq by Molmil
Non-native Solution Structure of a fragment of the CH1 domain of CBP
Descriptor: CREB Binding Protein, ZINC ION
Authors:Sharpe, B.K, Matthews, J.M, Kwan, A.H.Y, Newton, A, Gell, D.A, Crossley, M, Mackay, J.P.
Deposit date:2002-04-18
Release date:2002-05-29
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:A New Zinc Binding Fold Underlines the Versatility of Zinc Binding Modules in Protein Evolution
Structure, 10, 2002
5TL4
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BU of 5tl4 by Molmil
Crystal structure of Sphingomonas paucimobilis aryl O-demethylase LigM
Descriptor: AMMONIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Kohler, A.C, Adams, P.D, Simmons, B.A, Sale, K.L.
Deposit date:2016-10-10
Release date:2017-04-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Structure of aryl O-demethylase offers molecular insight into a catalytic tyrosine-dependent mechanism.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5TJ5
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Atomic model for the membrane-embedded motor of a eukaryotic V-ATPase
Descriptor: V-type proton ATPase subunit a, V-type proton ATPase subunit c, V-type proton ATPase subunit c', ...
Authors:Mazhab-Jafari, M.T, Rohou, A, Schmidt, C, Bueler, S.A, Benlekbir, S, Robinson, C.V, Rubinstein, J.L.
Deposit date:2016-10-03
Release date:2016-10-26
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Atomic model for the membrane-embedded VO motor of a eukaryotic V-ATPase.
Nature, 539, 2016
4MZL
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Crystal Structure of MTIP from Plasmodium falciparum in complex with HBS myoA, a hydrogen bond surrogate myoA helix mimetic
Descriptor: Myosin A tail domain interacting protein, hydrogen bond surrogate (HBS) myoA helix mimetic
Authors:Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W.
Deposit date:2013-09-30
Release date:2013-11-06
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction.
Acs Chem.Biol., 8, 2014
1M1O
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Crystal structure of biosynthetic thiolase, C89A mutant, complexed with acetoacetyl-CoA
Descriptor: ACETOACETYL-COENZYME A, Acetyl-CoA acetyltransferase, SULFATE ION
Authors:Kursula, P, Ojala, J, Lambeir, A.-M, Wierenga, R.K.
Deposit date:2002-06-20
Release date:2002-11-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The catalytic cycle of biosynthetic thiolase: A conformational journey of an acetyl group through four binding modes and two oxyanion holes
Biochemistry, 41, 2002

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