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8U66
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BU of 8u66 by Molmil
Firmicutes Rubisco
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Rubisco
Authors:Kaeser, B.P, Liu, A.K, Shih, P.M.
Deposit date:2023-09-13
Release date:2023-11-22
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (2.21 Å)
Cite:Deep-branching evolutionary intermediates reveal structural origins of form I rubisco.
Curr.Biol., 33, 2023
4CIN
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BU of 4cin by Molmil
Complex of Bcl-xL with its BH3 domain
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BCL-2-LIKE PROTEIN 1, ...
Authors:Colman, P.M, Lee, E.F, Fairlie, W.D.
Deposit date:2013-12-12
Release date:2014-11-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.693 Å)
Cite:The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains
J.Biol.Chem., 289, 2014
7L08
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BU of 7l08 by Molmil
Cryo-EM structure of the human 55S mitoribosome-RRFmt complex.
Descriptor: 12S rRNA, 16S RRNA, 28S ribosomal protein S10, ...
Authors:Koripella, R, Agrawal, E.K, Deep, A, Agrawal, R.K.
Deposit date:2020-12-11
Release date:2021-05-12
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Distinct mechanisms of the human mitoribosome recycling and antibiotic resistance.
Nat Commun, 12, 2021
2YFE
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BU of 2yfe by Molmil
Ligand binding domain of human PPAR gamma in complex with amorfrutin 1
Descriptor: Amorfrutin 1, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
Authors:de Groot, J.C, Buessow, K.
Deposit date:2011-04-05
Release date:2012-04-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Amorfrutins are Potent Antidiabetic Dietary Natural Products
Proc.Natl.Acad.Sci.USA, 109, 2012
5ZNJ
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BU of 5znj by Molmil
Crystal structure of a bacterial ProRS with ligands
Descriptor: 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, GLYCEROL, MAGNESIUM ION, ...
Authors:Cheng, B, Yu, Y, Zhou, H.
Deposit date:2018-04-09
Release date:2019-05-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure-Guided Design of Halofuginone Derivatives as ATP-Aided Inhibitors Against Bacterial Prolyl-tRNA Synthetase.
J.Med.Chem., 65, 2022
4OVX
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BU of 4ovx by Molmil
Crystal structure of Xylose isomerase domain protein from Planctomyces limnophilus DSM 3776
Descriptor: 1,2-ETHANEDIOL, Xylose isomerase domain protein TIM barrel
Authors:Chang, C, Bigelow, L, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-01-22
Release date:2014-02-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.253 Å)
Cite:Crystal structure of Xylose isomerase domain protein from Planctomyces limnophilus DSM 3776
To be published
5TPX
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BU of 5tpx by Molmil
Bromodomain from Plasmodium Faciparum Gcn5, complexed with compound
Descriptor: (1S,2S)-N~1~,N~1~-dimethyl-N~2~-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-phenylpropane-1,2-diamine, CHLORIDE ION, Histone acetyltransferase GCN5, ...
Authors:Lin, Y.H, Hou, C.F.D, MOUSTAKIM, M, DIXON, D.J, Loppnau, P, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, BRENNAN, P.E, Walker, J.R, Structural Genomics Consortium (SGC)
Deposit date:2016-10-21
Release date:2017-01-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a PCAF Bromodomain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 56, 2017
2BXO
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BU of 2bxo by Molmil
Human serum albumin complexed with myristate and oxyphenbutazone
Descriptor: 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE, MYRISTIC ACID, SERUM ALBUMIN
Authors:Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S.
Deposit date:2005-07-26
Release date:2005-09-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
6MY4
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BU of 6my4 by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M,LC-S30bR]
Descriptor: 1,2-ETHANEDIOL, anti-VEGF-A Fab fragment bH1 heavy chain, anti-VEGF-A Fab fragment bH1 light chain
Authors:Shi, R, Picard, M.-E, Manenda, M.
Deposit date:2018-11-01
Release date:2019-07-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
3KWJ
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BU of 3kwj by Molmil
Structure of human DPP-IV with (2S,3S,11bS)-3-(3-Fluoromethyl-phenyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ylamine
Descriptor: (2S,3S,11bS)-3-[3-(fluoromethyl)phenyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 soluble form
Authors:Hennig, M, Stihle, M, Thoma, R.
Deposit date:2009-12-01
Release date:2010-09-15
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Aryl- and heteroaryl-substituted aminobenzo[a]quinolizines as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
5TS1
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BU of 5ts1 by Molmil
Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YYQSGLSIV)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Jiang, J, Natarajan, K, Margulies, D.
Deposit date:2016-10-27
Release date:2018-05-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:MHC-restricted Ag85B-specific CD8+T cells are enhanced by recombinant BCG prime and DNA boost immunization in mice.
Eur.J.Immunol., 2019
5CF4
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BU of 5cf4 by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH N,N-DICYCLOPROPYL-10-ETHYL-7-[(3-METHOXYPROPYL)AMINO] -3-METHYL-3,5,8,10-TETRAAZATRICYCLO[7.3.0.0,6] DODECA-1(9),2(6),4,7,11-PENTAENE-11-CARBOXAMIDE
Descriptor: N,N-dicyclopropyl-6-ethyl-4-[(3-methoxypropyl)amino]-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
Authors:Sack, J.S.
Deposit date:2015-07-08
Release date:2015-08-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structure-Based Design of Selective Janus Kinase 2 Imidazo[4,5-d]pyrrolo[2,3-b]pyridine Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4TJV
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BU of 4tjv by Molmil
Crystal structure of protease-associated domain of Arabidopsis vacuolar sorting receptor 1
Descriptor: IODIDE ION, Vacuolar-sorting receptor 1
Authors:Luo, F, Fong, Y.H, Jiang, L.W, Wong, K.B.
Deposit date:2014-05-25
Release date:2014-12-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:How vacuolar sorting receptor proteins interact with their cargo proteins: crystal structures of apo and cargo-bound forms of the protease-associated domain from an Arabidopsis vacuolar sorting receptor.
Plant Cell, 26, 2014
6UXM
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BU of 6uxm by Molmil
Crystal structure of BAK core domain BH3-groove-dimer in complex with E. coli lipid
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Bcl-2 homologous antagonist/killer
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E.
Deposit date:2019-11-07
Release date:2020-09-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
4D7Q
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BU of 4d7q by Molmil
Crystal structure of a chimeric protein with the Sec7 domain of Legionella pneumophila RalF and the capping domain of Rickettsia prowazekii RalF
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Folly-Klan, M, Sancerne, B, Alix, E, Roy, C.R, Cherfils, J, Campanacci, V.
Deposit date:2014-11-27
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:On the Use of Legionella/Rickettsia Chimeras to Investigate the Structure and Regulation of Rickettsia Effector Ralf.
J.Struct.Biol., 189, 2015
6UZF
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BU of 6uzf by Molmil
Crystal structure of the unliganded bromodomain of human BRD9
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 9, DIMETHYL SULFOXIDE, ...
Authors:Karim, M.R, Chan, A, Schonbrunn, E.
Deposit date:2019-11-15
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
5CMU
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BU of 5cmu by Molmil
Artificial HIV fusion inhibitor AP1 fused to the C-terminus of gp41 NHR
Descriptor: Envelope glycoprotein,AP1, GLYCEROL
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
3L5E
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BU of 3l5e by Molmil
Structure of BACE Bound to SCH736062
Descriptor: (4S)-1-(4-{[(2Z,4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-2-imino-5-oxoimidazolidin-1-yl]methyl}benzyl)-4-propylimidazolidin-2-one, Beta-secretase 1, D(-)-TARTARIC ACID
Authors:Strickland, C, Zhu, Z.
Deposit date:2009-12-21
Release date:2010-02-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
5TYD
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BU of 5tyd by Molmil
DNA Polymerase Mu Reactant Complex, 10 mM Mg2+ (45 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2016-11-19
Release date:2017-08-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
3KGD
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BU of 3kgd by Molmil
Crystal structure of E. coli RNA 3' cyclase
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, RNA 3'-terminal phosphate cyclase, ...
Authors:Shuman, S, Tanaka, N, Smith, P.
Deposit date:2009-10-28
Release date:2010-04-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structure of the RNA 3'-phosphate cyclase-adenylate intermediate illuminates nucleotide specificity and covalent nucleotidyl transfer.
Structure, 18, 2010
7B0M
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BU of 7b0m by Molmil
Sugar transaminase from a metagenome collected from troll oil field production water
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Sugar aminotransferase, ...
Authors:Littlechild, J.A, De Rose, S.A, Isupov, M.N, Sayer, C, Karki, S.
Deposit date:2020-11-20
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Sugar transaminases from hot environments
To Be Published
1ZSH
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BU of 1zsh by Molmil
Crystal structure of bovine arrestin-2 in complex with inositol hexakisphosphate (IP6)
Descriptor: Beta-arrestin 1, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION
Authors:Milano, S.K, Kim, Y.M, Stefano, F.P, Benovic, J.L, Brenner, C.
Deposit date:2005-05-24
Release date:2006-01-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Nonvisual arrestin oligomerization and cellular localization are regulated by inositol hexakisphosphate binding
J.Biol.Chem., 281, 2006
2XYX
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BU of 2xyx by Molmil
Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy
Descriptor: 4-[2-[[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]AMINO]ETHYL]-N-(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)BENZENESULFONAMIDE, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA, octyl beta-D-glucopyranoside
Authors:Marquette, J.-P, Mathieu, M.
Deposit date:2010-11-19
Release date:2011-02-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (Ppar) Gamma / Delta Agonists with High Potency and in-Vivo Efficacy
Chemmedchem, 6, 2011
5TOW
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BU of 5tow by Molmil
Crystal structure of the inactive form of S-adenosyl-L-homocysteine hydrolase from Thermotoga maritima in ternary complex with NADH and Adenosine
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ADENOSINE, ...
Authors:Czyrko, J, Brzezinski, K.
Deposit date:2016-10-19
Release date:2017-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:S-adenosyl-L-homocysteine hydrolase from a hyperthermophile (Thermotoga maritima) is expressed in Escherichia coli in inactive form - Biochemical and structural studies.
Int. J. Biol. Macromol., 104, 2017
7KDV
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BU of 7kdv by Molmil
Murine core lysosomal multienzyme complex (LMC) composed of acid beta-galactosidase (GLB1) and protective protein cathepsin A (PPCA, CTSA)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ...
Authors:Gorelik, A, Illes, K, Hasan, S.M.N, Nagar, B, Mazhab-Jafari, M.T.
Deposit date:2020-10-09
Release date:2021-03-17
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.59 Å)
Cite:Structure of the murine lysosomal multienzyme complex core.
Sci Adv, 7, 2021

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