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6QIZ
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BU of 6qiz by Molmil
CI-2, conformation 2
Descriptor: Subtilisin-chymotrypsin inhibitor-2A
Authors:Romero, A, Ruiz, F.M.
Deposit date:2019-01-21
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Engineering protein assemblies with allosteric control via monomer fold-switching.
Nat Commun, 10, 2019
4OMO
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BU of 4omo by Molmil
Crystal structure of the c-Src tyrosine kinase SH3 domain mutant Q128E
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NICKEL (II) ION, Proto-oncogene tyrosine-protein kinase Src
Authors:Camara-Artigas, A, Bacarizo, J.
Deposit date:2014-01-27
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Electrostatic Effects in the Folding of the SH3 Domain of the c-Src Tyrosine Kinase: pH-Dependence in 3D-Domain Swapping and Amyloid Formation.
Plos One, 9, 2014
1MA5
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BU of 1ma5 by Molmil
Tachyplesin I solution structure in the presence of 300mM Dodecylphosphocholine micelles
Descriptor: Tachyplesin 1
Authors:Laederach, A, Andreotti, A.H, Fulton, D.B.
Deposit date:2002-07-31
Release date:2002-10-16
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution and micelle-bound structures of tachyplesin I and its active linear derivatives
Biochemistry, 41, 2002
4OMV
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BU of 4omv by Molmil
Crystal Structure of a Putative Macrophage Growth Locus, subunit A From Francisella tularensis SCHU S4
Descriptor: Macrophage growth locus, subunit A
Authors:Brunzelle, J.S, Wawrzak, Z, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-01-27
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structure of a Putative Macrophage Growth Locus, subunit A From Francisella tularensis SCHU S4
TO BE PUBLISHED
4OTI
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BU of 4oti by Molmil
Crystal Structure of PRK1 Catalytic Domain in Complex with Tofacitinib
Descriptor: 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Serine/threonine-protein kinase N1
Authors:Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B.
Deposit date:2014-02-13
Release date:2014-08-27
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
4OO9
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BU of 4oo9 by Molmil
Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator mavoglurant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mavoglurant, Metabotropic glutamate receptor 5, ...
Authors:Dore, A.S, Okrasa, K, Patel, J.C, Serrano-Vega, M, Bennett, K, Cooke, R.M, Errey, J.C, Jazayeri, A, Khan, S, Tehan, B, Weir, M, Wiggin, G.R, Marshall, F.H.
Deposit date:2014-01-31
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain.
Nature, 511, 2014
1MM2
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BU of 1mm2 by Molmil
Solution structure of the 2nd PHD domain from Mi2b
Descriptor: Mi2-beta, ZINC ION
Authors:Kwan, A.H.Y, Gell, D.A, Verger, A, Crossley, M, Matthews, J.M, Mackay, J.P.
Deposit date:2002-09-02
Release date:2003-07-22
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Engineering a Protein Scaffold from a PHD Finger
structure, 11, 2003
4UFC
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BU of 4ufc by Molmil
Crystal structure of the GH95 enzyme BACOVA_03438
Descriptor: CACODYLATE ION, CALCIUM ION, GH95, ...
Authors:Rogowski, A, Briggs, J.A, Mortimer, J.C, Tryfona, T, Terrapon, N, Lowe, E.C, Basle, A, Morland, C, Day, A.M, Zheng, H, Rogers, T.E, Thompson, P, Hawkins, A.R, Yadav, M.P, Henrissat, B, Martens, E.C, Dupree, P, Gilbert, H.J, Bolam, D.N.
Deposit date:2015-03-16
Release date:2015-07-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Glycan Complexity Dictates Microbial Resource Allocation in the Large Intestine.
Nat.Commun., 6, 2015
4OVD
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BU of 4ovd by Molmil
Crystal structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469
Descriptor: CALCIUM ION, Peptidoglycan glycosyltransferase
Authors:Filippova, E.V, Wawrzak, Z, Kiryukhina, O, Babnigg, G, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-02-21
Release date:2014-03-12
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469
To be Published
4O7Q
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BU of 4o7q by Molmil
Crystal Structure of the F27G AIM2 Pyrin Domain Mutant and Similarities of its Self-association to DED/DED Interactions
Descriptor: Interferon-inducible protein AIM2
Authors:Lu, A, Kabaleeswaran, V, Wu, H.
Deposit date:2013-12-26
Release date:2014-02-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal Structure of the F27G AIM2 PYD Mutant and Similarities of Its Self-Association to DED/DED Interactions.
J.Mol.Biol., 426, 2014
6QK6
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BU of 6qk6 by Molmil
Solution Structure of the Cd-loaded form of a Metallothionein from Helix Pomatia
Descriptor: CADMIUM ION, Cadmium-metallothionein
Authors:Zerbe, O, Jurt, S, Beil, A.
Deposit date:2019-01-28
Release date:2019-12-18
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:The Solution Structure and Dynamics of Cd-Metallothionein fromHelix pomatiaReveal Optimization for Binding Cd over Zn.
Biochemistry, 58, 2019
1MA2
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BU of 1ma2 by Molmil
Tachyplesin I Wild type peptide NMR Structure
Descriptor: Tachyplesin I
Authors:Laederach, A, Andreotti, A.H, Fulton, D.B.
Deposit date:2002-07-31
Release date:2002-10-16
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution and micelle-bound structures of tachyplesin I and its active aromatic linear derivatives
Biochemistry, 41, 2002
4OCZ
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BU of 4ocz by Molmil
Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-isobutyrylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
Descriptor: 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
Authors:Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morriseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D.
Deposit date:2014-01-09
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy.
J.Med.Chem., 57, 2014
4U8D
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BU of 4u8d by Molmil
X-ray structure of Mg-bound human sorcin
Descriptor: MAGNESIUM ION, Sorcin
Authors:Fiorillo, A, Ilari, A, Colotti, G.
Deposit date:2014-08-02
Release date:2015-08-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:INVESTIGATING THE CONFORMATIONAL CHANGES of SORCIN TO SHED LIGHT ON SIGNAL TRANSDUCTION IN THE APOPTOTIC PROCESS
To be published
1MD3
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BU of 1md3 by Molmil
A folding mutant of human class pi glutathione transferase, created by mutating glycine 146 of the wild-type protein to alanine
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, pi glutathione transferase
Authors:Kong, G.K.-W, Dragani, B, Aceto, A, Cocco, R, Mannervik, B, Stenberg, G, McKinstry, W.J, Polekhina, G, Parker, M.W.
Deposit date:2002-08-06
Release date:2002-08-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Contribution of Glycine 146 to a Conserved Folding Module Affecting Stability and Refolding of Human Glutathione Transferase P1-1
J.Biol.Chem., 278, 2003
4OCN
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BU of 4ocn by Molmil
Crystal Structure of the Rpn8-Rpn11 MPN domain heterodimer, crystal form II
Descriptor: 26S proteasome regulatory subunit RPN11, 26S proteasome regulatory subunit RPN8, Nb1
Authors:Pathare, G.R, Bracher, A.
Deposit date:2014-01-09
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the proteasomal deubiquitylation module Rpn8-Rpn11.
Proc.Natl.Acad.Sci.USA, 111, 2014
4OEL
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BU of 4oel by Molmil
Crystal structure of Cathepsin C in complex with dipeptide substrates
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Dipeptidyl peptidase 1 Heavy chain, ...
Authors:Zhao, B, Smallwood, A, Concha, N.
Deposit date:2014-01-13
Release date:2015-03-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The amino-acid substituents of dipeptide substrates of cathepsin C can determine the rate-limiting steps of catalysis.
Biochemistry, 51, 2012
1MFC
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BU of 1mfc by Molmil
HIGH RESOLUTION STRUCTURES OF ANTIBODY FAB FRAGMENT COMPLEXED WITH CELL-SURFACE OLIGOSACCHARIDE OF PATHOGENIC SALMONELLA
Descriptor: IGG1-LAMBDA SE155-4 FAB (HEAVY CHAIN), IGG1-LAMBDA SE155-4 FAB (LIGHT CHAIN), alpha-D-galactopyranose-(1-2)-[alpha-D-Abequopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose
Authors:Zdanov, A, Cygler, M.
Deposit date:1993-10-25
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Recognition of a carbohydrate antigenic determinant of Salmonella by an antibody.
Biochem.Soc.Trans., 21, 1993
7QAC
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BU of 7qac by Molmil
The T2 structure of polycrystalline cubic human insulin
Descriptor: Insulin A chain, Insulin B chain
Authors:Karavassili, F, Triandafillidis, D.P, Valmas, A, Spiliopoulou, M, Fili, S, Kontou, P, Bowler, M.W, Von Dreele, R.B, Fitch, A, Margiolaki, I.
Deposit date:2021-11-16
Release date:2023-06-21
Last modified:2024-02-07
Method:POWDER DIFFRACTION (2.29 Å)
Cite:The T 2 structure of polycrystalline cubic human insulin.
Acta Crystallogr D Struct Biol, 79, 2023
1MH9
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BU of 1mh9 by Molmil
Crystal Structure Analysis of deoxyribonucleotidase
Descriptor: MAGNESIUM ION, PHOSPHATE ION, deoxyribonucleotidase
Authors:Rinaldo-Matthis, A, Rampazzo, C, Reichard, P, Bianchi, V, Nordlund, P.
Deposit date:2002-08-19
Release date:2002-10-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a human mitochondrial deoxyribonucleotidase.
Nat.Struct.Biol., 9, 2002
4OHF
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BU of 4ohf by Molmil
Crystal structure of cytosolic nucleotidase II (LPG0095) in complex with GMP from Legionella pneumophila, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET LGR1
Descriptor: Cytosolic IMP-GMP specific 5'-nucleotidase, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Srinivisan, B, Forouhar, F, Shukla, A, Sampangi, C, Kulkarni, S, Abashidze, M, Seetharaman, J, Lew, S, Mao, L, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.M, Tong, L, Balaram, H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2014-01-17
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Allosteric regulation and substrate activation in cytosolic nucleotidase II from Legionella pneumophila.
Febs J., 281, 2014
4OR0
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BU of 4or0 by Molmil
Crystal Structure of Bovine Serum Albumin in complex with naproxen
Descriptor: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, DI(HYDROXYETHYL)ETHER, Serum albumin, ...
Authors:Zielinski, K, Bujacz, A, Sekula, B, Bujacz, G.
Deposit date:2014-02-10
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural studies of bovine, equine, and leporine serum albumin complexes with naproxen.
Proteins, 82, 2014
4U67
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BU of 4u67 by Molmil
Crystal structure of the large ribosomal subunit (50S) of Deinococcus radiodurans containing a three residue insertion in L22
Descriptor: 23s RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A.
Deposit date:2014-07-28
Release date:2015-08-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:The Ribosomal Protein uL22 Modulates the Shape of the Protein Exit Tunnel.
Structure, 25, 2017
4OSY
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BU of 4osy by Molmil
STRUCTURE of FULLY-CLEAVED GLYCINE-BOUND HUMAN L-ASPARAGINASE PROTEIN
Descriptor: GLYCINE, Isoaspartyl peptidase/L-asparaginase, SODIUM ION
Authors:Nomme, J, Lavie, A.
Deposit date:2014-02-13
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Free glycine accelerates the autoproteolytic activation of human asparaginase.
Chem.Biol., 20, 2013
6QQK
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BU of 6qqk by Molmil
Room temperature structure of blue light-irradiated AtPhot2LOV2 recorded after an accumulated dose of 34 kGy
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Aumonier, S, Gotthard, G, Royant, A.
Deposit date:2019-02-18
Release date:2019-06-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Specific radiation damage is a lesser concern at room temperature.
Iucrj, 6, 2019

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