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PDB: 41042 results

4UDD
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BU of 4udd by Molmil
GR in complex with desisobutyrylciclesonide
Descriptor: 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DESISOBUYTYRYL CICLESONIDE, ...
Authors:Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V.
Deposit date:2014-12-09
Release date:2015-11-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
5KZ5
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BU of 5kz5 by Molmil
Architecture of the Human Mitochondrial Iron-Sulfur Cluster Assembly Machinery: the Complex Formed by the Iron Donor, the Sulfur Donor, and the Scaffold
Descriptor: Cysteine desulfurase, mitochondrial, Frataxin, ...
Authors:Gakh, O, Ranatunga, W, Smith, D.Y, Ahlgren, E.C, Al-Karadaghi, S, Thompson, J.R, Isaya, G.
Deposit date:2016-07-22
Release date:2016-08-31
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (14.3 Å)
Cite:Architecture of the Human Mitochondrial Iron-Sulfur Cluster Assembly Machinery.
J.Biol.Chem., 291, 2016
5KPS
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BU of 5kps by Molmil
Structure of RelA bound to ribosome in absence of A/R tRNA (Structure I)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Bah, E, Madireddy, R, Zhang, Y, Brilot, A.F, Grigorieff, N, Korostelev, A.A.
Deposit date:2016-07-05
Release date:2016-09-28
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Ribosome•RelA structures reveal the mechanism of stringent response activation.
Elife, 5, 2016
7OBO
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BU of 7obo by Molmil
GSTF1 from Alopecurus myosuroides
Descriptor: (2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid, Glutathione transferase
Authors:Pohl, E, Eno, R.F.M, Freitag-Pohl, S.
Deposit date:2021-04-23
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Flavonoid-based inhibitors of the Phi-class glutathione transferase from black-grass to combat multiple herbicide resistance.
Org.Biomol.Chem., 19, 2021
7ODM
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BU of 7odm by Molmil
AmGSTF1 Y118S variant
Descriptor: Glutathione transferase, [(2~{S})-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium
Authors:Pohl, E, Eno, R.F.M.
Deposit date:2021-04-30
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Flavonoid-based inhibitors of the Phi-class glutathione transferase from black-grass to combat multiple herbicide resistance.
Org.Biomol.Chem., 19, 2021
4UDB
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BU of 4udb by Molmil
MR in complex with desisobutyrylciclesonide
Descriptor: DESISOBUYTYRYL CICLESONIDE, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Edman, K, Hogner, A, Hussein, A, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, JellesmarkJensen, T, Cavallin, A, Nilsson, E, Lepisto, M, Guallar, V.
Deposit date:2014-12-09
Release date:2015-11-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
4UDC
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BU of 4udc by Molmil
GR in complex with dexamethasone
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DEXAMETHASONE, GLUCOCORTICOID RECEPTOR, ...
Authors:Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V.
Deposit date:2014-12-09
Release date:2015-11-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
2WTJ
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BU of 2wtj by Molmil
CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-5-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)-N-[2-(DIMETHYLAMINO)ETHYL]PYRIDINE-3-CARBOXAMIDE, CHECKPOINT KINASE 2, ...
Authors:Hilton, S, Naud, S, Caldwell, J.J, Boxall, K, Burns, S, Anderson, V.E, Antoni, L, Allen, C.E, Pearl, L.H, Oliver, A.W, Aherne, G.W, Garrett, M.D, Collins, I.
Deposit date:2009-09-16
Release date:2009-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification and Characterisation of 2-Aminopyridine Inhibitors of Checkpoint Kinase 2
Bioorg.Med.Chem., 18, 2010
4ONA
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BU of 4ona by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1517
Descriptor: 5-amino-1-tert-butyl-3-(7-ethoxyquinolin-3-yl)-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-01-28
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Potent and selective inhibitors of CDPK1 from T. gondii and C. parvum based on a 5-aminopyrazole-4-carboxamide scaffold.
ACS Med Chem Lett, 5, 2014
5L8G
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BU of 5l8g by Molmil
Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant H65A
Descriptor: CALCIUM ION, Uncharacterized protein
Authors:He, D, Hughes, S, Vanden-Hehir, S, Georgiev, A, Altenbach, K, Tarrant, E, Mackay, C.L, Waldron, K.J, Clarke, D.J, Marles-Wright, J.
Deposit date:2016-06-07
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.974 Å)
Cite:Structural characterization of encapsulated ferritin provides insight into iron storage in bacterial nanocompartments.
Elife, 5, 2016
1P8S
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BU of 1p8s by Molmil
Structural and Functional Importance of First-Shell Metal Ligands in the Binuclear Manganese Cluster of Arginase I.
Descriptor: Arginase 1, MANGANESE (II) ION
Authors:Cama, E, Emig, F.A, Ash, D.E, Christianson, D.W.
Deposit date:2003-05-07
Release date:2003-06-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and functional importance of first-shell metal ligands in the binuclear manganese cluster of arginase I
Biochemistry, 42, 2003
2G45
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BU of 2g45 by Molmil
Co-crystal structure of znf ubp domain from the deubiquitinating enzyme isopeptidase T (isot) in complex with ubiquitin
Descriptor: CHLORIDE ION, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 5, ...
Authors:Reyes-Turcu, F.E, Horton, J.R, Mullally, J.E, Heroux, A, Cheng, X, Wilkinson, K.D.
Deposit date:2006-02-21
Release date:2006-04-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The Ubiquitin Binding Domain ZnF UBP Recognizes the C-Terminal Diglycine Motif of Unanchored Ubiquitin.
Cell(Cambridge,Mass.), 124, 2006
6MPN
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BU of 6mpn by Molmil
Racemic M2-TM I42E crystallized from racemic detergent
Descriptor: Matrix protein 2, octyl beta-D-glucopyranoside
Authors:Kreitler, D.F, Yao, Z, Mortenson, D.E, Forest, K.T, Gellman, S.H.
Deposit date:2018-10-07
Release date:2019-01-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Hendecad Motif Is Preferred for Heterochiral Coiled-Coil Formation.
J. Am. Chem. Soc., 141, 2019
7SKO
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BU of 7sko by Molmil
De novo synthetic protein DIG8-CC (orthogonal space group)
Descriptor: De novo synthetic protein DIG8-CC, MAGNESIUM ION
Authors:Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X.
Deposit date:2021-10-21
Release date:2022-10-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:De novo design of immunoglobulin-like domains
Nat Commun, 13, 2022
4UMB
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BU of 4umb by Molmil
Structural analysis of substrate-mimicking inhibitors in complex with Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase - the importance of accommodating the active site water
Descriptor: (2R)-2-(phosphonooxy)propanoic acid, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Heyes, L.C, Reichau, S, Cross, P.J, Parker, E.J.
Deposit date:2014-05-16
Release date:2014-10-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water.
Bioorg.Chem., 57, 2014
5F8R
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BU of 5f8r by Molmil
Blood group antigen binding adhesin BabA of Helicobacter pylori strain S831 in complex with blood group H Lewis b hexasaccharide
Descriptor: Adhesin binding fucosylated histo-blood group antigen,Adhesin,Adhesin binding fucosylated histo-blood group antigen, Nanobody Nb-ER19, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Moonens, K, Gideonsson, P, Subedi, S, Romao, E, Oscarson, S, Muyldermans, S, Boren, T, Remaut, H.
Deposit date:2015-12-09
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori.
Cell Host Microbe, 19, 2016
4AVT
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BU of 4avt by Molmil
Structure of CPHPC bound to Serum Amyloid P Component
Descriptor: (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Kolstoe, S.E, Purvis, A, Wood, S.P.
Deposit date:2012-05-29
Release date:2013-06-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Interaction of Serum Amyloid P Component with Hexanoyl Bis(D-Proline) (Cphpc)
Acta Crystallogr.,Sect.D, 70, 2014
5B63
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BU of 5b63 by Molmil
Crystal structures of E.coli arginyl-tRNA synthetase (ArgRS) in complex with substrate tRNA(Arg)
Descriptor: Arginine--tRNA ligase, tRNA-Arg
Authors:Zhou, M, Ye, S, Stephen, P, Zhang, R, Wang, E.D, Giege, R, Lin, S.X.
Deposit date:2016-05-24
Release date:2017-05-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of E.coli arginyl-tRNA synthetase (ArgRS) in complex with substrate tRNA(Arg)
To Be Published
1VAR
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BU of 1var by Molmil
MITOCHONDRIAL MANGANESE SUPEROXIDE DISMUTASE VARIANT WITH ILE 58 REPLACED BY THR
Descriptor: MANGANESE (III) ION, MANGANESE SUPEROXIDE DISMUTASE
Authors:Borgstahl, G.E.O, Parge, H.E, Tainer, J.A.
Deposit date:1996-01-04
Release date:1996-06-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human mitochondrial manganese superoxide dismutase polymorphic variant Ile58Thr reduces activity by destabilizing the tetrameric interface.
Biochemistry, 35, 1996
4FAO
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BU of 4fao by Molmil
Specificity and Structure of a high affinity Activin-like 1 (ALK1) signaling complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2B, Growth/differentiation factor 2, ...
Authors:Townson, S.A, Martinez-Hackert, E, Greppi, C, Lowden, P, Sako, D, Liu, J, Ucran, J.A, Liharska, K, Underwood, K.W, Seehra, J, Kumar, R, Grinberg, A.V.
Deposit date:2012-05-22
Release date:2012-06-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.357 Å)
Cite:Specificity and Structure of a High Affinity Activin Receptor-like Kinase 1 (ALK1) Signaling Complex.
J.Biol.Chem., 287, 2012
1Q3E
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BU of 1q3e by Molmil
HCN2J 443-645 in the presence of cGMP
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2
Authors:Zagotta, W.N, Olivier, N.B, Black, K.D, Young, E.C, Olson, R, Gouaux, J.E.
Deposit date:2003-07-29
Release date:2003-09-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for modulation and agonist specificity of HCN pacemaker channels
Nature, 425, 2003
1GFI
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BU of 1gfi by Molmil
STRUCTURES OF ACTIVE CONFORMATIONS OF GI ALPHA 1 AND THE MECHANISM OF GTP HYDROLYSIS
Descriptor: GUANINE NUCLEOTIDE-BINDING PROTEIN G, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Coleman, D.E, Berghuis, A.M, Sprang, S.R.
Deposit date:1994-11-11
Release date:1995-03-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of active conformations of Gi alpha 1 and the mechanism of GTP hydrolysis.
Science, 265, 1994
4OFI
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BU of 4ofi by Molmil
Crystal Structure of Duf (Kirre) D1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Kin of irre, isoform A, ...
Authors:Ozkan, E, Garcia, K.C.
Deposit date:2014-01-14
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis.
Cell(Cambridge,Mass.), 156, 2014
6BTM
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BU of 6btm by Molmil
Structure of Alternative Complex III from Flavobacterium johnsoniae (Wild Type)
Descriptor: (2S)-3-hydroxypropane-1,2-diyl ditetradecanoate, Alternative Complex III subunit A, Alternative Complex III subunit B, ...
Authors:Sun, C, Benlekbir, S, Venkatakrishnan, P, Yuhang, W, Tajkhorshid, E, Rubinstein, J.L, Gennis, R.B.
Deposit date:2017-12-07
Release date:2018-05-09
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of the alternative complex III in a supercomplex with cytochrome oxidase.
Nature, 557, 2018
2WKJ
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BU of 2wkj by Molmil
Crystal structure of the E192N mutant of E. Coli N-acetylneuraminic acid lyase in complex with pyruvate at 1.45A resolution in space group P212121
Descriptor: N-ACETYLNEURAMINATE LYASE, PENTAETHYLENE GLYCOL, PYRUVIC ACID
Authors:Campeotto, I, Carr, S.B, Trinh, C.H, Nelson, A.S, Berry, A, Phillips, S.E.V, Pearson, A.R.
Deposit date:2009-06-11
Release date:2009-12-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of an Escherichia coli N-acetyl-D-neuraminic acid lyase mutant, E192N, in complex with pyruvate at 1.45 angstrom resolution.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 65, 2009

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