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8QLL
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Crystal structure of rat glutathione transferase Omega 1 bound to glutathione
Descriptor: GLUTATHIONE, Glutathione S-transferase omega-1
Authors:Schwartz, M, Neiers, F.
Deposit date:2023-09-20
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Rattus norvegicus Glutathione Transferase Omega 1 Localization in Oral Tissues and Interactions with Food Phytochemicals.
J.Agric.Food Chem., 72, 2024
8Q69
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Crystal structure of HsRNMT complexed with inhibitor DDD1060606
Descriptor: 1-[(3~{S})-3-(2~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-2-thiophen-3-yl-ethanone, GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Petit, A.P, Fyfe, P.K.
Deposit date:2023-08-11
Release date:2024-08-21
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structure-Guided Design of HsRNMT inhibitors
To Be Published
8Q3J
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Crystal structure of mIL-38 in complex with a neutralizing Fab e04 fragment
Descriptor: Fab e04 Heavy Chain (e04 HC), Fab e04 Light Chain (e04 LC), Interleukin-1 family member 10, ...
Authors:Garcia-Pardo, J, Da Silva, P, Mora, J, Wiechmann, S, Putyrski, M, You, X, Kannt, A, Ernst, A, Brune, B, Weigert, A.
Deposit date:2023-08-04
Release date:2024-08-14
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Neutralizing IL-38 activates gamma delta T cell-dependent antitumor immunity and sensitizes for chemotherapy.
J Immunother Cancer, 12, 2024
8Q8G
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BU of 8q8g by Molmil
Crystal structure of HsRNMT complexed with inhibitor DDD1870799
Descriptor: 2-(4-fluorophenyl)-1-[(3~{S})-3-(6-oxidanyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone, GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Petit, A.P, Fyfe, P.K.
Deposit date:2023-08-18
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Guided Design of HsRNMT inhibitors
To Be Published
8QBQ
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BU of 8qbq by Molmil
Crystal structure of the outer membrane decaheme cytochrome MtrC (A430Boc-Lys)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Nash, B.W, Lockwood, C.J, Whiting, K, Butt, J.N, Clarke, T.A, Edwards, M.J.
Deposit date:2023-08-25
Release date:2024-09-04
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Genetic Code Expansion in Shewanella oneidensis MR-1 Allows Site-Specific Incorporation of Bioorthogonal Functional Groups into a c -Type Cytochrome.
Acs Synth Biol, 13, 2024
8QC9
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BU of 8qc9 by Molmil
Crystal structure of the outer membrane decaheme cytochrome MtrC (A293Boc-Lys)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Nash, B.W, Lockwood, C.J, Edwards, M.J, Whiting, K, Butt, J.N, Clarke, T.A.
Deposit date:2023-08-25
Release date:2024-09-04
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Genetic Code Expansion in Shewanella oneidensis MR-1 Allows Site-Specific Incorporation of Bioorthogonal Functional Groups into a c -Type Cytochrome.
Acs Synth Biol, 13, 2024
8Q9W
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BU of 8q9w by Molmil
Crystal structure of HsRNMT complexed with sinefungin and GMP-PnP
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, SINEFUNGIN, SULFATE ION, ...
Authors:Petit, A.P, Fyfe, P.K.
Deposit date:2023-08-21
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Guided Design of HsRNMT inhibitors
To Be Published
8QB4
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Crystal structure of apo-GltTk obtained with in meso crystallization (H32 space group)
Descriptor: OLEIC ACID, Proton/glutamate symporter, SDF family
Authors:Marin, E, Guskov, A, Borshchevskiy, V, Kovalev, K.
Deposit date:2023-08-24
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of apo-GltTk obtained with in meso crystallization (H32 space group)
To Be Published
8QB5
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BU of 8qb5 by Molmil
Crystal structure of apo-GltTk obtained with in meso crystallization (P6322 space group)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, Proton/glutamate symporter, ...
Authors:Marin, E, Guskov, A, Borshchevskiy, V, Kovalev, K.
Deposit date:2023-08-24
Release date:2024-09-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of apo-GltTk obtained with in meso crystallization (P6322 space group)
To Be Published
2OMY
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BU of 2omy by Molmil
Crystal structure of InlA S192N/hEC1 complex
Descriptor: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
Authors:Wollert, T, Heinz, D.W, Schubert, W.D.
Deposit date:2007-01-23
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
4W80
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BU of 4w80 by Molmil
Tetrameric BAP29 vDED with disulfide bonds in crystal contacts
Descriptor: B-cell receptor-associated protein 29, SULFATE ION
Authors:Quistgaard, E.M.
Deposit date:2014-08-22
Release date:2014-10-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A disulfide polymerized protein crystal.
Chem.Commun.(Camb.), 50, 2014
1KM7
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BU of 1km7 by Molmil
Solution Structure and Backbone Dynamics of GABARAP, GABAA Receptor Associated Protein
Descriptor: GABA(A) Receptor Associated Protein
Authors:Kouno, T, Miura, K, Tada, M, Kanematsu, T, Tate, S, Shirakawa, M, Hirata, M, Kawano, K.
Deposit date:2001-12-14
Release date:2003-10-07
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:1H, 13C and '5N resonance assignments of GABARAP, GABAA receptor associated protein.
J.Biomol.Nmr, 22, 2002
2OLV
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BU of 2olv by Molmil
Structural Insight Into the Transglycosylation Step Of Bacterial Cell Wall Biosynthesis : Donor Ligand Complex
Descriptor: MOENOMYCIN, Penicillin-binding protein 2
Authors:Lovering, A.L, De Castro, L, Lim, D, Strynadka, N.C.J.
Deposit date:2007-01-19
Release date:2007-03-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insight into the transglycosylation step of bacterial cell-wall biosynthesis.
Science, 315, 2007
2OMU
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BU of 2omu by Molmil
Crystal structure of InlA G194S+S Y369S/hEC1 complex
Descriptor: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
Authors:Wollert, T, Heinz, D.W, Schubert, W.D.
Deposit date:2007-01-23
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Thermodynamically reengineering the listerial invasion complex InlA/E-cadherin.
Proc.Natl.Acad.Sci.Usa, 104, 2007
2OMW
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BU of 2omw by Molmil
Crystal structure of InlA S192N Y369S/mEC1 complex
Descriptor: CHLORIDE ION, Epithelial-cadherin, Internalin-A
Authors:Wollert, T, Heinz, D.W, Schubert, W.D.
Deposit date:2007-01-23
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
4USJ
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BU of 4usj by Molmil
N-acetylglutamate kinase from Arabidopsis thaliana in complex with PII from Chlamydomonas reinhardtii
Descriptor: ACETYLGLUTAMATE KINASE, CHLOROPLASTIC, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Chellamuthu, V.R, Forchhammer, K, Hartmann, M.D.
Deposit date:2014-07-08
Release date:2014-12-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A Widespread Glutamine-Sensing Mechanism in the Plant Kingdom.
Cell(Cambridge,Mass.), 159, 2014
2OQJ
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BU of 2oqj by Molmil
Crystal structure analysis of Fab 2G12 in complex with peptide 2G12.1
Descriptor: Fab 2G12 heavy chain, Fab 2G12 light chain, peptide 2G12.1 (ACPPSHVLDMRSGTCLAAEGK)
Authors:Calarese, D.A, Stanfield, R.L, Menendez, A, Scott, J.K, Wilson, I.A.
Deposit date:2007-01-31
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A peptide inhibitor of HIV-1 neutralizing antibody 2G12 is not a structural mimic of the natural carbohydrate epitope on gp120.
Faseb J., 22, 2008
2ON9
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BU of 2on9 by Molmil
Structure of an amyloid forming peptide VQIVYK from the repeat region of Tau
Descriptor: VQIVYK peptide corresponding to residues 306-311 in the tau protein
Authors:Sambashivan, S, Sawaya, M.R, Eisenberg, D.
Deposit date:2007-01-23
Release date:2007-01-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Atomic structures of amyloid cross-beta spines reveal varied steric zippers.
Nature, 447, 2007
4W5C
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BU of 4w5c by Molmil
Crystal structure analysis of cruzain with three Fragments: 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide), 6 (2-amino-4,6-difluorobenzothiazole) and 9 (N-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide).
Descriptor: 4,6-difluoro-1,3-benzothiazol-2-amine, Cruzipain, N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide, ...
Authors:Tochowicz, A, McKerrow, J.H, Craik, C.S.
Deposit date:2014-08-17
Release date:2015-04-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Applying Fragments Based- Drug Design to identify multiple binding modes on cysteine protease.
To Be Published
4UU6
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BU of 4uu6 by Molmil
CRYSTAL STRUCTURE OF THE PDZ DOMAIN OF PALS1
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Ivanova, M.E, Purkiss, A.G, McDonald, N.Q.
Deposit date:2014-07-24
Release date:2015-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of the human Pals1 PDZ domain with and without ligand suggest gated access of Crb to the PDZ peptide-binding groove.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
2OPX
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BU of 2opx by Molmil
Crystal Structure of Lactaldehyde Dehydrogenase from Escherichia coli
Descriptor: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Aldehyde dehydrogenase A
Authors:Francuski, D, Rossocha, M, Saenger, W.
Deposit date:2007-01-30
Release date:2007-02-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Crystal Structure of Lactaldehyde Dehydrogenase from Escherichia coli
To be Published
1KW0
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BU of 1kw0 by Molmil
Catalytic Domain of Human Phenylalanine Hydroxylase (Fe(II)) in Complex with Tetrahydrobiopterin and Thienylalanine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, BETA(2-THIENYL)ALANINE, FE (II) ION, ...
Authors:Andersen, O.A, Flatmark, T, Hough, E.
Deposit date:2002-01-28
Release date:2003-01-28
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Ternary Complex of the Catalytic Domain of Human Phenylalanine Hydroxylase with Tetrahydrobiopterin and 3-(2-thienyl)-L-alanine, and its Implications for the Mechanism of Catalysis and Substrate Activation
J.Mol.Biol., 320, 2002
1KFL
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BU of 1kfl by Molmil
Crystal structure of phenylalanine-regulated 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (DAHP synthase) from E.coli complexed with Mn2+, PEP, and Phe
Descriptor: 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase, MANGANESE (II) ION, PHENYLALANINE, ...
Authors:Shumilin, I.A, Zhao, C, Bauerle, R, Kretsinger, R.H.
Deposit date:2001-11-21
Release date:2002-08-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Allosteric inhibition of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase alters the coordination of both substrates.
J.Mol.Biol., 320, 2002
4W7Y
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BU of 4w7y by Molmil
Dimeric BAP29 vDED with disulfide bonds in crystal contacts
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, B-cell receptor-associated protein 29
Authors:Quistgaard, E.M.
Deposit date:2014-08-22
Release date:2014-10-29
Last modified:2014-11-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A disulfide polymerized protein crystal.
Chem.Commun.(Camb.), 50, 2014
2PCJ
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BU of 2pcj by Molmil
Crystal structure of ABC transporter (aq_297) From Aquifex Aeolicus VF5
Descriptor: Lipoprotein-releasing system ATP-binding protein lolD, SULFITE ION
Authors:Jeyakanthan, J, Kanaujia, S.P, Vasuki Ranjani, C, Sekar, K, Nakagawa, N, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-30
Release date:2007-10-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of ABC transporter (aq_297) From Aquifex Aeolicus VF5
To be Published

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