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6RNY
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BU of 6rny by Molmil
PFV intasome - nucleosome strand transfer complex
Descriptor: DNA (108-MER), DNA (128-MER), DNA (33-MER), ...
Authors:Pye, V.E, Renault, L, Maskell, D.P, Cherepanov, P, Costa, A.
Deposit date:2019-05-09
Release date:2019-09-25
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Retroviral integration into nucleosomes through DNA looping and sliding along the histone octamer.
Nat Commun, 10, 2019
6I2H
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BU of 6i2h by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and RKp190
Descriptor: CHLORIDE ION, UPF0418 protein FAM164A, [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2018-11-01
Release date:2019-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and RKp190
To be published
3L44
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BU of 3l44 by Molmil
Crystal structure of Bacillus anthracis HemL-1, glutamate semialdehyde aminotransferase
Descriptor: Glutamate-1-semialdehyde 2,1-aminomutase 1
Authors:Anderson, S.M, Wawrzak, Z, Gordon, E, Hasseman, J, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-12-18
Release date:2010-01-19
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of Bacillus anthracis HemL-1, glutamate semialdehyde aminotransferase
TO BE PUBLISHED
4MXF
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BU of 4mxf by Molmil
X-ray structure of the adduct between bovine pancreatic ribonuclease and Auoxo6, a dinuclear gold(III) complex with -dioxo bridges linking the two metal centers
Descriptor: GOLD ION, Ribonuclease pancreatic
Authors:Russo Krauss, I, Vergara, A, Merlino, A.
Deposit date:2013-09-26
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Interactions of gold-based drugs with proteins: crystal structure of the adduct formed between ribonuclease A and a cytotoxic gold(iii) compound.
Metallomics, 6, 2014
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
5FR8
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BU of 5fr8 by Molmil
Crystal structure of the siderophore receptor PirA from Acinetobacter baumannii
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, TONB-DEPENDENT SIDEROPHORE RECEPTOR
Authors:Moynie, L, Tortajada, A, Naismith, J.H.
Deposit date:2015-12-16
Release date:2016-05-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structure and Function of the PiuA and PirA Siderophore-Drug Receptors from Pseudomonas aeruginosa and Acinetobacter baumannii.
Antimicrob. Agents Chemother., 61, 2017
3KPF
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BU of 3kpf by Molmil
X-ray structure of the mutant Lys300Met of polyamine oxidase from Zea mays
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Fiorillo, A, Ilari, A, Tavladoraki, P.
Deposit date:2009-11-16
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The crystal structure of the mutant K300M of polyamine oxidase from ZEA MAYS unveils the role of LYS300 in catalysis
To be Published
4N68
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BU of 4n68 by Molmil
Crystal structure of an internal FN3 domain from human Contactin-5 [PSI-NYSGRC-005804]
Descriptor: Contactin-5, SULFATE ION
Authors:Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Toro, R, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
Deposit date:2013-10-11
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of an internal FN3 domain from human Contactin-5 [PSI-NYSGRC-005804]
to be published
1H2H
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BU of 1h2h by Molmil
Crystal structure of TM1643
Descriptor: HYPOTHETICAL PROTEIN TM1643, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Yang, Z, Savchenko, A, Edwards, A, Arrowsmith, C, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2002-08-08
Release date:2002-08-15
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Aspartate dehydrogenase, a novel enzyme identified from structural and functional studies of TM1643.
J. Biol. Chem., 278, 2003
2VNN
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BU of 2vnn by Molmil
Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-1- methyl-3,4-dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9- carboxamide 2,2-dioxide
Descriptor: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide
Authors:Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, East, P, Hawkins, J, Howes, C, Hussain, I, Jeffrey, P, Maile, G, Matico, R, Mosley, J, Naylor, A, OBrien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
Deposit date:2008-02-05
Release date:2008-05-20
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Second Generation of Hydroxyethylamine Bace-1 Inhibitors: Optimizing Potency and Oral Bioavailability.
J.Med.Chem., 51, 2008
5CHV
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BU of 5chv by Molmil
Crystal structure of USP18-ISG15 complex
Descriptor: CHLORIDE ION, SULFATE ION, Ubiquitin-like protein ISG15, ...
Authors:Fritz, G, Basters, A.
Deposit date:2015-07-10
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.005 Å)
Cite:Structural basis of the specificity of USP18 toward ISG15.
Nat. Struct. Mol. Biol., 24, 2017
2MWL
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BU of 2mwl by Molmil
NMR structure of VG16KRKP, an antimicrobial peptide in LPS
Descriptor: antimicrobial peptide
Authors:Bhunia, A, Datta, A.
Deposit date:2014-11-13
Release date:2014-12-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Antimicrobial Peptides: Insights into Membrane Permeabilization, Lipopolysaccharide Fragmentation and Application in Plant Disease Control.
Sci Rep, 5, 2015
3O8M
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BU of 3o8m by Molmil
Crystal structure of monomeric KlHxk1 in crystal form XI with glucose bound (closed state)
Descriptor: CHLORIDE ION, Hexokinase, alpha-D-glucopyranose, ...
Authors:Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N.
Deposit date:2010-08-03
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION.
J.Biol.Chem., 285, 2010
5FU5
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BU of 5fu5 by Molmil
The complexity of the Ruminococcus flavefaciens cellulosome reflects an expansion in glycan recognition
Descriptor: CBM77-RFPL
Authors:Basle, A, Luis, A.S, Venditto, I, Gilbert, H.J.
Deposit date:2016-01-20
Release date:2016-06-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
4N8P
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BU of 4n8p by Molmil
Crystal structure of a strand swapped CTLA-4 from Duckbill Platypus [PSI-NYSGRC-012711]
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Uncharacterized protein
Authors:Kumar, P.R, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Toro, R, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
Deposit date:2013-10-17
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Crystal structure of a strand swapped CTLA-4 from Duckbill Platypus [PSI-NYSGRC-012711]
to be published
3KJZ
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BU of 3kjz by Molmil
Crystal structure of native peptidyl-tRNA hydrolase from Mycobacterium smegmatis
Descriptor: Peptidyl-tRNA hydrolase
Authors:Kumar, A, Singh, N, Yadav, R, Prem Kumar, R, Sharma, S, Arora, A, Singh, T.P.
Deposit date:2009-11-04
Release date:2010-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of peptidyl-tRNA hydrolase from mycobacterium smegmatis reveals novel features related to enzyme dynamics.
Int J Biochem Mol Biol, 3, 2012
3FHM
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BU of 3fhm by Molmil
Crystal structure of the CBS-domain containing protein ATU1752 from Agrobacterium tumefaciens
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ADENOSINE MONOPHOSPHATE, SULFATE ION, ...
Authors:Singer, A.U, Xu, X, Zhang, R, Cui, H, Kudritsdka, M, Edwards, A.M, Joachimiak, A, Yakunin, A.F, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-12-09
Release date:2009-01-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the CBS-domain containing protein ATU1752 from Agrobacterium tumefaciens
To be Published
5FMM
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BU of 5fmm by Molmil
crystal structure of the mid, cap-binding, mid-link and 627 domains from avian influenza a virus polymerase PB2 subunit bound to M7GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, CITRATE ANION, INFLUENZA A PB2 SUBUNIT
Authors:Thierry, E, Pflug, A, Hart, D, Cusack, S.
Deposit date:2015-11-06
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Influenza Polymerase Can Adopt an Alternative Configuration Involving a Radical Repacking of Pb2 Domains.
Mol.Cell, 61, 2016
3OG4
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BU of 3og4 by Molmil
The crystal structure of human interferon lambda 1 complexed with its high affinity receptor in space group P21212
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin 28 receptor, alpha (Interferon, ...
Authors:Miknis, Z.J, Magracheva, E, Lei, W, Zdanov, A, Kotenko, S.V, Wlodawer, A.
Deposit date:2010-08-16
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of the complex of human interferon-lambda1 with its high affinity receptor interferon-lambdaR1.
J.Mol.Biol., 404, 2010
4GVJ
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BU of 4gvj by Molmil
Tyk2 (JH1) in complex with adenosine di-phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Non-receptor tyrosine-protein kinase TYK2
Authors:Liang, J, Abbema, A.V, Bao, L, Barrett, K, Beresini, M, Berezhkovskiy, L, Blair, W, Chang, C, Driscoll, J, Eigenbrot, C, Ghilardi, N, Gibbons, P, Halladay, J, Johnson, A, Kohli, P.B, Lai, Y, Liimatta, M, Mantik, P, Menghrajani, K, Murray, J, Sambrone, A, Shao, Y, Shia, S, Shin, Y, Smith, J, Sohn, S, Stanley, M, Tsui, V, Ultsch, M, Wu, L, Zhang, B, Magnuson, S.
Deposit date:2012-08-30
Release date:2013-08-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
6IV3
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BU of 6iv3 by Molmil
Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae with a mutation W252A
Descriptor: Bestrophin homolog, ZINC ION
Authors:Kittredge, A, Chen, S, Yang, T.
Deposit date:2018-12-02
Release date:2019-11-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.515 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
6IVM
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BU of 6ivm by Molmil
Crystal structure of a membrane protein P143A
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:Kittredge, A, Fukuda, F, Zhang, Y, Yang, T.
Deposit date:2018-12-04
Release date:2019-11-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations.
Commun Biol, 2, 2019
4KUN
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BU of 4kun by Molmil
Crystal structure of Legionella pneumophila Lpp1115 / KaiB
Descriptor: Hypothetical protein Lpp1115
Authors:Petit, P, Stogios, P.J, Stein, A, Wawrzak, Z, Skarina, T, Daniels, C, Di Leo, R, Buchrieser, C, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-05-22
Release date:2013-06-05
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Legionella pneumophila kai operon is implicated in stress response and confers fitness in competitive environments.
Environ Microbiol, 16, 2014
1GOJ
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BU of 1goj by Molmil
Structure of a fast kinesin: Implications for ATPase mechanism and interactions with microtubules
Descriptor: ADENOSINE-5'-DIPHOSPHATE, KINESIN HEAVY CHAIN, MAGNESIUM ION
Authors:Song, Y.-H, Marx, A, Muller, J, Woehlke, G, Schliwa, M, Krebs, A, Hoenger, A, Mandelkow, E.
Deposit date:2001-10-21
Release date:2001-11-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a Fast Kinesin: Implications for ATPase Mechanism and Interactions with Microtubules
Embo J., 20, 2001
4KY1
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BU of 4ky1 by Molmil
humanized HP1/2 Fab
Descriptor: IMMUNOGLOBULIN IGG1 FAB, HEAVY CHAIN, LIGHT CHAIN
Authors:Arndt, J.W, Hanf, K.J.M, Lugovskoy, A, Chen, L.L, Jarpe, M, Boriack-Sjodin, A, Li, Y, van Vlijmen, H, Pepinsky, B, Taylor, F, Silvian, L, Taveras, A.
Deposit date:2013-05-28
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Antibody humanization by redesign of complementarity-determining region residues proximate to the acceptor framework.
METHODS (SAN DIEGO), 65, 2014

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