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5ZDR
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BU of 5zdr by Molmil
Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei with ascofuranone derivative
Descriptor: 3-chloro-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-2-methylbenzaldehyde, Alternative oxidase, mitochondrial, ...
Authors:Shiba, T, Inaoka, D.K, Takahashi, G, Tsuge, C, Kido, Y, Young, L, Ueda, S, Balogun, E.O, Nara, T, Honma, T, Tanaka, A, Inoue, M, Saimoto, H, Harada, S, Moore, A.L, Kita, K.
Deposit date:2018-02-23
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Insights into the ubiquinol/dioxygen binding and proton relay pathways of the alternative oxidase.
Biochim Biophys Acta Bioenerg, 1860, 2019
3ICO
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BU of 3ico by Molmil
Crystal structure of 6-phosphogluconolactonase from Mycobacterium tuberculosis
Descriptor: 6-phosphogluconolactonase, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-07-17
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3HVH
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BU of 3hvh by Molmil
Rat catechol O-methyltransferase in complex with a catechol-type, N6-methyladenine-containing bisubstrate inhibitor
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
Deposit date:2009-06-16
Release date:2009-10-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor.
Angew.Chem.Int.Ed.Engl., 48, 2009
7Y6Y
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BU of 7y6y by Molmil
RLGSGG-AtPRT6 UBR box (C121)
Descriptor: E3 ubiquitin-protein ligase PRT6, ZINC ION
Authors:Kim, L, Song, H.K.
Deposit date:2022-06-21
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.543 Å)
Cite:Structural analyses of plant PRT6-UBR box for Cys-Arg/N-degron pathway and insights into the plant submergence resistance
To Be Published
3HWG
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BU of 3hwg by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-TrenCam-hopo2
Descriptor: CHLORIDE ION, FE (III) ION, GLYCEROL, ...
Authors:Clifton, M.C.
Deposit date:2009-06-17
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
7Y6X
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BU of 7y6x by Molmil
RRGSGG-AtPRT6 UBR box (P32)
Descriptor: E3 ubiquitin-protein ligase PRT6, ZINC ION
Authors:Kim, L, Song, H.K.
Deposit date:2022-06-21
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.196 Å)
Cite:Structural analyses of plant PRT6-UBR box for Cys-Arg/N-degron pathway and insights into the plant submergence resistance
To Be Published
2W8C
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BU of 2w8c by Molmil
Plastocyanin variant with N-terminal Methionine - closed structure
Descriptor: COPPER (II) ION, PLASTOCYANIN, ZINC ION
Authors:Crowley, P.B, Matias, P.M, Khan, A.R.
Deposit date:2009-01-15
Release date:2009-10-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Metal-Mediated Self-Assembly of a Beta-Sandwich Protein.
Chemistry, 15, 2009
3HND
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BU of 3hnd by Molmil
Crystal structure of human ribonucleotide reductase 1 bound to the effector TTP and substrate GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ...
Authors:Fairman, J.W, Wijerathna, S.R, Xu, H, Dealwis, C.G.
Deposit date:2009-05-31
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural basis for allosteric regulation of human ribonucleotide reductase by nucleotide-induced oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
7YJ1
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BU of 7yj1 by Molmil
Cryo-EM structure of SPT-ORMDL3 (ORMDL3-deltaN2) complex
Descriptor: ORM1-like protein 3, PYRIDOXAL-5'-PHOSPHATE, Serine palmitoyltransferase 1, ...
Authors:Xie, T, Liu, P, Gong, X.
Deposit date:2022-07-19
Release date:2023-07-05
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Ceramide sensing by human SPT-ORMDL complex for establishing sphingolipid homeostasis.
Nat Commun, 14, 2023
3HRC
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BU of 3hrc by Molmil
Crystal structure of a mutant of human PDK1 Kinase domain in complex with ATP
Descriptor: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE
Authors:Hindie, V, Alzari, P.M, Biondi, R.M.
Deposit date:2009-06-09
Release date:2009-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure and allosteric effects of low-molecular-weight activators on the protein kinase PDK1.
Nat.Chem.Biol., 5, 2009
4XTL
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BU of 4xtl by Molmil
Crystal structure of the light-driven sodium pump KR2 in the monomeric blue form, pH 4.3
Descriptor: EICOSANE, GLYCEROL, SODIUM ION, ...
Authors:Gushchin, I, Shevchenko, V, Polovinkin, V, Gordeliy, V.
Deposit date:2015-01-23
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of a light-driven sodium pump.
Nat.Struct.Mol.Biol., 22, 2015
4ZBF
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BU of 4zbf by Molmil
Mcl-1 complexed with small molecules
Descriptor: (1R)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2H-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhao, B.
Deposit date:2015-04-14
Release date:2015-04-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
J.Med.Chem., 58, 2015
4ZD3
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BU of 4zd3 by Molmil
Structure of a transglutaminase 2-specific autoantibody Fab fragment
Descriptor: 679-14-14E06 Fab fragment heavy chain, 679-14-14E06 Fab fragment light chain
Authors:Chen, X, Dalhus, B, Hnida, K, Iversen, R, Sollid, L.M.
Deposit date:2015-04-16
Release date:2015-07-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for Antigen Recognition by Transglutaminase 2-specific Autoantibodies in Celiac Disease.
J.Biol.Chem., 290, 2015
7YIU
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BU of 7yiu by Molmil
Cryo-EM structure of the C6-ceramide-bound SPT-ORMDL3 complex
Descriptor: HEXADECANE, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)HEXANAMIDE, ORM1-like protein 3, ...
Authors:Xie, T, Liu, P, Gong, X.
Deposit date:2022-07-18
Release date:2023-07-05
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Ceramide sensing by human SPT-ORMDL complex for establishing sphingolipid homeostasis.
Nat Commun, 14, 2023
7YJ2
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BU of 7yj2 by Molmil
Cryo-EM structure of SPT-ORMDL3 (ORMDL3-N13A) complex
Descriptor: ORM1-like protein 3, PYRIDOXAL-5'-PHOSPHATE, Serine palmitoyltransferase 1, ...
Authors:Xie, T, Liu, P, Gong, X.
Deposit date:2022-07-19
Release date:2023-07-05
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Ceramide sensing by human SPT-ORMDL complex for establishing sphingolipid homeostasis.
Nat Commun, 14, 2023
4Z07
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BU of 4z07 by Molmil
Co-crystal structure of the tandem CNB (CNB-A/B) domains of human PKG I beta with cGMP
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Kim, J.J, Reger, A.S, Arold, S.T, Kim, C.
Deposit date:2015-03-25
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of PKG I:cGMP Complex Reveals a cGMP-Mediated Dimeric Interface that Facilitates cGMP-Induced Activation.
Structure, 24, 2016
3I0A
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BU of 3i0a by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) K134A mutant complexed with Ferric Enterobactin
Descriptor: 2,3-DIHYDROXY-BENZOIC ACID, FE (III) ION, GLYCEROL, ...
Authors:Clifton, M.C.
Deposit date:2009-06-24
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
2W47
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BU of 2w47 by Molmil
Clostridium thermocellum CBM35 in complex with delta-4,5- anhydrogalacturonic acid
Descriptor: 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid, CALCIUM ION, LIPOLYTIC ENZYME, ...
Authors:Montainer, C, Lammerts van Bueren, A, Dumon, C, Flint, J.E, Correia, M.A, Prates, J.A, Firbank, S.J, Lewis, R.J, Grondin, G.G, Ghinet, M.G, Gloster, T.M, Herve, C, Knox, J.P, Talbot, B.G, Turkenburg, J.P, Kerovuo, J, Brzezinski, R, Fontes, C.M.G.A, Davies, G.J, Boraston, A.B, Gilbert, H.J.
Deposit date:2008-11-21
Release date:2009-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
4Z7V
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BU of 4z7v by Molmil
L3-12 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DQ-alpha chain, MHC class II HLA-DQ-beta-1, ...
Authors:Petersen, J, Rossjohn, J, Reid, H.H, Koning, F.
Deposit date:2015-04-08
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Determinants of Gliadin-Specific T Cell Selection in Celiac Disease.
J Immunol., 194, 2015
3HNF
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BU of 3hnf by Molmil
Crystal structure of human ribonucleotide reductase 1 bound to the effectors TTP and dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ...
Authors:Fairman, J.W, Wijerathna, S.R, Xu, H, Dealwis, C.G.
Deposit date:2009-05-31
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Structural basis for allosteric regulation of human ribonucleotide reductase by nucleotide-induced oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
4YYZ
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BU of 4yyz by Molmil
11B-HYDROXYSTEROID DEHYDROGENASE TYPE I IN COMPLEX WITH INHIBITOR
Descriptor: Corticosteroid 11-beta-dehydrogenase isozyme 1, N-[(1R,2s,3S,5s,7s)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Branden, G, Boden, C, Ogg, D.
Deposit date:2015-03-24
Release date:2016-02-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design of pyrozolo-pyrimidines as 11beta-HSD1 inhibitors through optimisation of molecular electrostatic potential.
Medchemcomm, 6, 2016
2W87
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BU of 2w87 by Molmil
Xyl-CBM35 in complex with glucuronic acid containing disaccharide.
Descriptor: CALCIUM ION, ESTERASE D, UNKNOWN LIGAND, ...
Authors:Montainer, C, Bueren, A.L.v, Dumon, C, Flint, J.E, Correia, M.A, Prates, J.A, Firbank, S.J, Lewis, R.J, Grondin, G.G, Ghinet, M.G, Gloster, T.M, Herve, C, Knox, J.P, Talbot, B.G, Turkenburg, J.P, Kerovuo, J, Brzezinski, R, Fontes, C.M.G.A, Davies, G.J, Boraston, A.B, Gilbert, H.J.
Deposit date:2009-01-14
Release date:2009-01-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
1YSO
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BU of 1yso by Molmil
YEAST CU, ZN SUPEROXIDE DISMUTASE WITH THE REDUCED BRIDGE BROKEN
Descriptor: COPPER (I) ION, YEAST CU, ZN SUPEROXIDE DISMUTASE, ...
Authors:Parge, H.E, Crane, B.R, Tsang, J, Tainer, J.A.
Deposit date:1995-12-21
Release date:1996-06-10
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Unusual trigonal-planar copper configuration revealed in the atomic structure of yeast copper-zinc superoxide dismutase.
Biochemistry, 35, 1996
4ZG9
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BU of 4zg9 by Molmil
Structural basis for inhibition of human autotaxin by four novel compounds
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(11aS)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]propanoic acid, ...
Authors:Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F.
Deposit date:2015-04-22
Release date:2015-10-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural Basis for Inhibition of Human Autotaxin by Four Potent Compounds with Distinct Modes of Binding.
Mol.Pharmacol., 88, 2015
5WNP
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BU of 5wnp by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
Descriptor: 16S Ribosomal RNA rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:DeMirci, H.
Deposit date:2017-08-01
Release date:2018-02-21
Last modified:2020-10-21
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:2'-O-methylation in mRNA disrupts tRNA decoding during translation elongation.
Nat. Struct. Mol. Biol., 25, 2018

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