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4DH7
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BU of 4dh7 by Molmil
Low temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, AMP-PNP and IP20'
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2012-01-27
Release date:2012-06-27
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity.
Acta Crystallogr.,Sect.D, 68, 2012
6WFK
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BU of 6wfk by Molmil
Crystal structure of human Naa50 in complex with CoA and an inhibitor (compound 4a) identified using DNA encoded library technology
Descriptor: (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, COENZYME A, N-alpha-acetyltransferase 50
Authors:Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
Deposit date:2020-04-03
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
6WFN
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BU of 6wfn by Molmil
Crystal structure of human Naa50 in complex with AcCoA and an inhibitor (compound 4a) identified using DNA encoded library technology
Descriptor: (4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide, ACETYL COENZYME *A, N-alpha-acetyltransferase 50
Authors:Greasley, S.E, Feng, J, Deng, Y.-L, Stewart, A.E.
Deposit date:2020-04-03
Release date:2020-07-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Characterization of SpecificN-alpha-Acetyltransferase 50 (Naa50) Inhibitors Identified Using a DNA Encoded Library.
Acs Med.Chem.Lett., 11, 2020
8ENJ
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BU of 8enj by Molmil
Design, synthesis, biological evaluation, and X-ray crystallography of diarylpyrazole derivatives possessing terminal arylsulfonamide moieties as anti-proliferative agents targeting c-Jun N-terminal kinase (JNK)
Descriptor: Mitogen-activated protein kinase 10, N-[3-({(4P)-4-[(3M)-1-tert-butyl-3-(3-hydroxyphenyl)-1H-pyrazol-4-yl]pyridin-2-yl}amino)propyl]-4-hydroxybenzene-1-sulfonamide
Authors:Park, H, Mersal, K.I.
Deposit date:2022-09-30
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Evaluation of novel pyrazol-4-yl pyridine derivatives possessing arylsulfonamide tethers as c-Jun N-terminal kinase (JNK) inhibitors in leukemia cells.
Eur.J.Med.Chem., 261, 2023
2QU0
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BU of 2qu0 by Molmil
Crystal structure determination of sheep methemoglobin at 2.7 Angstrom resolution
Descriptor: Hemoglobin subunit alpha-1/2, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Neelagandan, K, Sathya Moorthy, Pon, Balasubramanian, M, Sundaresan, S, Ponnuswamy, M.N.
Deposit date:2007-08-03
Release date:2008-08-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure determination of sheep(Ovis aries) methemoglobin at 2.7 angstrom resolution
To be Published
3J16
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BU of 3j16 by Molmil
Models of ribosome-bound Dom34p and Rli1p and their ribosomal binding partners
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S24-A, ...
Authors:Becker, T, Franckenberg, S, Wickles, S, Shoemaker, C.J, Anger, A.M, Armache, J.-P, Sieber, H, Ungewickell, C, Berninghausen, O, Daberkow, I, Karcher, A, Thomm, M, Hopfner, K.-P, Green, R, Beckmann, R.
Deposit date:2011-12-12
Release date:2012-02-22
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (7.2 Å)
Cite:Structural basis of highly conserved ribosome recycling in eukaryotes and archaea.
Nature, 482, 2012
6CDP
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BU of 6cdp by Molmil
Vaccine-elicited HIV-1 neutralizing antibody vFP20.01 in complex with HIV-1 fusion peptide residue 512-519
Descriptor: HIV-1 fusion peptide 512-519, SULFATE ION, vFP20.01 Fab heavy chain, ...
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.456 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
2IMO
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BU of 2imo by Molmil
Crystal structure of allantoate amidohydrolase from Escherichia coli at pH 4.6
Descriptor: Allantoate amidohydrolase
Authors:Agarwal, R, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-10-04
Release date:2006-10-17
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Analysis of a Ternary Complex of Allantoate Amidohydrolase from Escherichia coli Reveals its Mechanics.
J.Mol.Biol., 368, 2007
2J3Z
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BU of 2j3z by Molmil
Crystal structure of the enzymatic component C2-I of the C2-toxin from Clostridium botulinum at pH 6.1
Descriptor: C2 TOXIN COMPONENT I, COBALT (II) ION, GLYCEROL, ...
Authors:Schleberger, C, Hochmann, H, Barth, H, Aktories, K, Schulz, G.E.
Deposit date:2006-08-23
Release date:2006-10-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and Action of the Binary C2 Toxin from Clostridium Botulinum.
J.Mol.Biol., 364, 2006
8I8J
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BU of 8i8j by Molmil
Crystal structure of the ternary complex of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with Coenzyme-A and Phosphonoacetic acid at 2.07 A resolution.
Descriptor: 1,2-ETHANEDIOL, COENZYME A, GLYCEROL, ...
Authors:Ahmad, N, Sharma, P, Sharma, S, Singh, T.P.
Deposit date:2023-02-04
Release date:2023-03-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of the ternary complex of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with Coenzyme-A and Phosphonoacetic acid at 2.07 A resolution.
To Be Published
8ING
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BU of 8ing by Molmil
Structure of the ternary complex of lactoperoxidase with substrate nitric oxide (NO) and product nitrite ion (NO2) at 1.98 A resolution
Descriptor: 1,2-ETHANEDIOL, 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ahmad, M.I, Viswanathan, V, Kumar, M, Singh, R.P, Singh, A.K, Sinha, M, Kaur, P, Sharma, P, Sharma, S, Singh, T.P.
Deposit date:2023-03-09
Release date:2023-04-05
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure of the ternary complex of lactoperoxidase with substrate nitric oxide (NO) and product nitrite ion (NO2) at 1.98 A resolution
To be published
2IPS
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BU of 2ips by Molmil
Crystal structure of a ternary complex of bovine lactoperoxidase with thiocyanate and iodide at 3.1 A resolution
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Singh, A.K, Singh, N, Sharma, S, Singh, T.P.
Deposit date:2006-10-12
Release date:2006-10-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of a ternary complex of bovine lactoperoxidase with thiocyanate and iodide at 3.1 A resolution
To be Published
2W5N
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BU of 2w5n by Molmil
Native structure of the GH93 alpha-L-arabinofuranosidase of Fusarium graminearum
Descriptor: 1,2-ETHANEDIOL, ALPHA-L-ARABINOFURANOSIDASE, GLYCEROL, ...
Authors:Carapito, R, Imberty, A, Jeltsch, J.M, Byrns, S.C, Tam, P.H, Lowary, T.L, Varrot, A, Phalip, V.
Deposit date:2008-12-11
Release date:2009-03-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular Basis of Arabinobio-Hydrolase Activity in Phytopathogenic Fungi. Crystal Structure and Catalytic Mechanism of Fusarium Graminearum Gh93 Exo-Alpha-L-Arabinanase.
J.Biol.Chem., 284, 2009
2WFU
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BU of 2wfu by Molmil
Crystal structure of DILP5 variant DB
Descriptor: PROBABLE INSULIN-LIKE PEPTIDE 5 A CHAIN, PROBABLE INSULIN-LIKE PEPTIDE 5 B CHAIN
Authors:Kulahin, N, Schluckebier, G, Sajid, W, De Meyts, P.
Deposit date:2009-04-15
Release date:2010-05-26
Last modified:2012-04-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Biological Properties of the Drosophila Insulin-Like Peptide 5 Show Evolutionary Conservation.
J.Biol.Chem., 286, 2011
2WFV
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BU of 2wfv by Molmil
Crystal structure of DILP5 variant C4
Descriptor: PROBABLE INSULIN-LIKE PEPTIDE 5 A CHAIN, PROBABLE INSULIN-LIKE PEPTIDE 5 B CHAIN
Authors:Kulahin, N, Schluckebier, G, Sajid, W, De Meyts, P.
Deposit date:2009-04-15
Release date:2010-05-26
Last modified:2012-04-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Biological Properties of the Drosophila Insulin-Like Peptide 5 Show Evolutionary Conservation.
J.Biol.Chem., 286, 2011
6D4M
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BU of 6d4m by Molmil
Crystal Structure of a Fc Fragment of Rhesus macaque (Macaca mulatta) IgG3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]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, Fc fragment of IgG3
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.47 Å)
Cite:From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses.
Mabs, 11, 2019
2W2D
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BU of 2w2d by Molmil
Crystal Structure of a Catalytically Active, Non-toxic Endopeptidase Derivative of Clostridium botulinum Toxin A
Descriptor: ACETATE ION, BOTULINUM NEUROTOXIN A HEAVY CHAIN, BOTULINUM NEUROTOXIN A LIGHT CHAIN, ...
Authors:Masuyer, G, Thiyagarajan, N, James, P.L, Marks, P.M.H, Chaddock, J.A, Acharya, K.R.
Deposit date:2008-10-29
Release date:2009-03-24
Last modified:2022-05-04
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal Structure of a Catalytically Active, Non-Toxic Endopeptidase Derivative of Clostridium Botulinum Toxin A.
Biochem.Biophys.Res.Commun., 381, 2009
8IMZ
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BU of 8imz by Molmil
Cryo-EM structure of mouse Piezo1-MDFIC complex (composite map)
Descriptor: MyoD family inhibitor domain-containing protein, Piezo-type mechanosensitive ion channel component 1
Authors:Zhou, Z, Ma, X, Lin, Y, Cheng, D, Bavi, N, Li, J.V, Sutton, D, Yao, M, Harvey, N, Corry, B, Zhang, Y, Cox, C.D.
Deposit date:2023-03-07
Release date:2023-08-09
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:MyoD-family inhibitor proteins act as auxiliary subunits of Piezo channels.
Science, 381, 2023
2IVE
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BU of 2ive by Molmil
Structure of protoporphyrinogen oxidase from Myxococcus xanthus
Descriptor: (3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-2-YL]BUTYL LAURATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Corradi, H.R, Corrigall, A.V, Boix, E, Mohan, C.G, Sturrock, E.D, Meissner, P.N, Acharya, K.R.
Deposit date:2006-06-13
Release date:2006-10-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Protoporphyrinogen Oxidase from Myxococcus Xanthus and its Complex with the Inhibitor Acifluorfen.
J.Biol.Chem., 281, 2006
2J3X
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BU of 2j3x by Molmil
Crystal structure of the enzymatic component C2-I of the C2-toxin from Clostridium botulinum at pH 3.0 (mut-S361R)
Descriptor: C2 TOXIN COMPONENT I, GLYCEROL, SULFATE ION
Authors:Schleberger, C, Hochmann, H, Barth, H, Aktories, K, Schulz, G.E.
Deposit date:2006-08-23
Release date:2006-10-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and Action of the Binary C2 Toxin from Clostridium Botulinum.
J.Mol.Biol., 364, 2006
6DR8
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BU of 6dr8 by Molmil
Metallo-beta-lactamase from Cronobacter sakazakii (Enterobacter sakazakii) HARLDQ motif mutant S60/R118H/Q121H/K254H
Descriptor: (2-hydroxyethoxy)acetaldehyde, Beta-lactamase, PHOSPHATE ION, ...
Authors:Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G.
Deposit date:2018-06-11
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.476 Å)
Cite:Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse
Protein Cell, 2020
6DHM
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BU of 6dhm by Molmil
Bovine glutamate dehydrogenase complexed with zinc
Descriptor: GLUTAMIC ACID, GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, ...
Authors:Smith, T.J.
Deposit date:2018-05-20
Release date:2018-07-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:A novel mechanism of V-type zinc inhibition of glutamate dehydrogenase results from disruption of subunit interactions necessary for efficient catalysis.
FEBS J., 278, 2011
6D4E
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BU of 6d4e by Molmil
Crystal Structure of a Fc Fragment of Rhesus macaque (Macaca mulatta) IgG1.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]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, CHLORIDE ION, Fc Fragment of IgG1
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2018-04-18
Release date:2019-05-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses.
Mabs, 11, 2019
5K5A
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BU of 5k5a by Molmil
Structure of the pNOB8-like ParB N-domain
Descriptor: ParB domain protein nuclease
Authors:Schumacher, M.
Deposit date:2016-05-23
Release date:2016-06-15
Method:X-RAY DIFFRACTION (2.825 Å)
Cite:Structures of archaeal DNA segregation machinery reveal bacterial and eukaryotic linkages.
Science, 349, 2015
8ITQ
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BU of 8itq by Molmil
Terpene cyclase AriE mutant - D128A
Descriptor: Terpene synthase
Authors:He, J.Y, Yang, Q, Dong, L.B.
Deposit date:2023-03-22
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of cis-eunicellane synthase AriE from Amycolatopsis arida
To Be Published

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