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5MKJ
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BU of 5mkj by Molmil
Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 9 and a fragment of the TIF2 co-activator.
Descriptor: (~{E})-3-[4-oxidanyl-3-(5-prop-2-enyl-2-propoxy-phenyl)phenyl]prop-2-enoic acid, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha
Authors:Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C.
Deposit date:2016-12-05
Release date:2017-11-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization.
ACS Chem Neurosci, 8, 2017
7BBS
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BU of 7bbs by Molmil
Structure of Bg10: an alcohol-tolerant and glucose-stimulated B-glucosidase
Descriptor: Beta-glucosidase Bg10
Authors:Maldaner Pereira, P.A, Gomes-Pepe, E.S, Silva, S.T.N, Matias, P.M, Lemos, E.G.M.
Deposit date:2020-12-18
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of Bg10: an alcohol-tolerant and glucose-stimulated beta-glucosidase
TO BE PUBLISHED
5ME3
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BU of 5me3 by Molmil
Structure of the Scc2 C-terminus
Descriptor: Scc2 unassigned sequence, Sister chromatid cohesion protein 2, unassigned sequence of Scc2
Authors:Chao, W.C.H, Singleton, M.R.
Deposit date:2016-11-14
Release date:2017-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure of the cohesin loader Scc2.
Nat Commun, 8, 2017
6SW6
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BU of 6sw6 by Molmil
Crystal structure R264H mutant of the human S-adenosylmethionine synthetase 1
Descriptor: S-adenosylmethionine synthase isoform type-1
Authors:Panmanee, J, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2019-09-19
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis of the dominant inheritance of hypermethioninemia associated with the Arg264His mutation in the MAT1A gene.
Acta Crystallogr D Struct Biol, 76, 2020
5MBU
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BU of 5mbu by Molmil
CeuE (H227A, Y288F variant) a periplasmic protein from Campylobacter jejuni
Descriptor: Enterochelin uptake periplasmic binding protein
Authors:Wilde, E.J, Blagova, E.V, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S.
Deposit date:2016-11-08
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length.
Sci Rep, 7, 2017
6S9E
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BU of 6s9e by Molmil
Tubulin-GDP.AlF complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALUMINUM FLUORIDE, CALCIUM ION, ...
Authors:Oliva, M.A, Estevez-Gallego, J, Diaz, J.F, Prota, A.E, Steinmetz, M.O, Balaguer, F.A, Lucena-Agell, D.
Deposit date:2019-07-12
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural model for differential cap maturation at growing microtubule ends.
Elife, 9, 2020
6SWR
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BU of 6swr by Molmil
Crystal structure of the lysosomal potassium channel MtTMEM175 T38A mutant soaked with zinc
Descriptor: DODECYL-BETA-D-MALTOSIDE, Nanobody, Maltose/maltodextrin-binding periplasmic protein,Maltodextrin-binding protein,Maltose/maltodextrin-binding periplasmic protein, ...
Authors:Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S.
Deposit date:2019-09-23
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for ion selectivity in TMEM175 K + channels.
Elife, 9, 2020
5MI0
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BU of 5mi0 by Molmil
A thermally stabilised version of Plasmodium falciparum RH5
Descriptor: MONOCLONAL ANTIBODY 9AD4, Reticulocyte binding-like protein 5,Reticulocyte binding protein 5
Authors:Campeotto, I, Goldenzweig, A, Davey, J, Barfod, L, Marshall, J.M, Silk, S.E, Wright, K.E, Draper, S.J, Higgins, M.K, Fleishman, S.J.
Deposit date:2016-11-27
Release date:2016-12-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:One-step design of a stable variant of the malaria invasion protein RH5 for use as a vaccine immunogen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7BEU
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BU of 7beu by Molmil
Human glutathione transferase M1-1
Descriptor: Glutathione S-transferase Mu 1, SODIUM ION
Authors:Papageorgiou, A.C, Poudel, N.
Deposit date:2020-12-28
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Ligandability Assessment of Human Glutathione Transferase M1-1 Using Pesticides as Chemical Probes.
Int J Mol Sci, 23, 2022
6SXU
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BU of 6sxu by Molmil
GH51 a-l-arabinofuranosidase soaked with cyclic sulfate inhibitor
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:McGregor, N.G.S, Davies, G.J.
Deposit date:2019-09-26
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
5MKR
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BU of 5mkr by Molmil
HSP72-NBD bound to compound TCI 8 - Tyr15 in up-conformation
Descriptor: 3-[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate, CITRATE ANION, Heat shock 70 kDa protein 1A
Authors:Pettinger, J, Westwood, I.M, Cronin, N, Le Bihan, Y.-V, Van Montfort, R.L.M.
Deposit date:2016-12-05
Release date:2017-03-01
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:An Irreversible Inhibitor of HSP72 that Unexpectedly Targets Lysine-56.
Angew. Chem. Int. Ed. Engl., 56, 2017
7BBY
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BU of 7bby by Molmil
Crystal structure of aldo-keto reductase with C-terminal His tag from Agrobacterium tumefaciens
Descriptor: Aryl-alcohol dehydrogenase, PHOSPHATE ION
Authors:Snow, A, Sharma, M, Davies, G.J.
Deposit date:2020-12-18
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
6SYX
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BU of 6syx by Molmil
Hydrogenase-2 variant R479K - reduced sample exposed to pure oxygen
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
Authors:Carr, S.B, Beaton, S.E, Evans, R.M, Armstrong, F.A.
Deposit date:2019-10-01
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Hydrogen activation by NiFe-hydrogenases - consolidating the role of the pendant arginine.
To Be Published
5MLG
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BU of 5mlg by Molmil
Crystal structure of rat prorenin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
Authors:Yan, Y, Read, R.
Deposit date:2016-12-06
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of rat prorenin
To Be Published
6SE3
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BU of 6se3 by Molmil
Crystal Structure of Ancestral Flavin-containing monooxygenase (FMO) 3-6
Descriptor: Ancestral Flavin-containing monooxygenase (FMO) 3-6, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Nicoll, C, Bailleul, G, Fiorentini, F, Mascotti, M.L, Fraaije, M, Mattevi, A.
Deposit date:2019-07-29
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ancestral-sequence reconstruction unveils the structural basis of function in mammalian FMOs.
Nat.Struct.Mol.Biol., 27, 2020
7BDS
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BU of 7bds by Molmil
Structure of CTX-M-15 crystallised in the presence of tazobactam
Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2020-12-22
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
5MMH
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BU of 5mmh by Molmil
The X-Ray Structure of the Effector Domain of the Transcriptional Regulator AmpR of Pseudomonas aeruginosa
Descriptor: HTH-type transcriptional activator AmpR
Authors:Hermoso, J.A, Dominguez gil Velasco, T.
Deposit date:2016-12-09
Release date:2017-01-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Muropeptide Binding and the X-ray Structure of the Effector Domain of the Transcriptional Regulator AmpR of Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
6SFO
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BU of 6sfo by Molmil
MAPK14 with bound inhibitor SR-318
Descriptor: 5-azanyl-~{N}-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, GLYCEROL, Mitogen-activated protein kinase 14, ...
Authors:Schroeder, M, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-08-01
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:MAPK14 with bound inhibitor SR-318
To Be Published
5MMZ
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BU of 5mmz by Molmil
Structure of PRL-1 in complex with the Bateman domain of CNNM2
Descriptor: Metal transporter CNNM2, Protein tyrosine phosphatase type IVA 1
Authors:Gimenez-Mascarell, P, Oyenarte, I, Hardy, S, Breiderhoff, T, Stuiver, M, Kostantin, E, Diercks, T, Pey, A.L, Ereno-Orbea, J, Martinez-Chantar, M.L, Khalaf-Nazzal, R, Claverie-Martin, F, Muller, D, Tremblay, M.L, Martinez-Cruz, L.A.
Deposit date:2016-12-12
Release date:2016-12-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of the Oncogenic Interaction of Phosphatase PRL-1 with the Magnesium Transporter CNNM2.
J. Biol. Chem., 292, 2017
7BC1
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BU of 7bc1 by Molmil
Crystal structure of aldo-keto reductase from Agrobacterium tumefaciens in a ternary complex with NADPH and glucose
Descriptor: Aryl-alcohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, alpha-D-glucopyranose
Authors:Snow, A, Sharma, M, Davies, G.J.
Deposit date:2020-12-18
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
5MOB
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BU of 5mob by Molmil
ABA RECEPTOR FROM TOMATO, SlPYL1
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, SULFATE ION, SlPYL1_ABA
Authors:Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Albert, A.
Deposit date:2016-12-14
Release date:2017-08-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.669 Å)
Cite:Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor.
Mol Plant, 10, 2017
5MOF
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BU of 5mof by Molmil
Ethylene Forming Enzyme from Pseudomonas syringae pv. phaseolicola - I222 crystal form in complex with manganese and 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, CHLORIDE ION, ...
Authors:McDonough, M.A, Zhang, Z, Schofield, C.J.
Deposit date:2016-12-14
Release date:2017-04-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and stereoelectronic insights into oxygenase-catalyzed formation of ethylene from 2-oxoglutarate.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6SUD
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BU of 6sud by Molmil
Structure of L320A mutant of Rex8A from Paenibacillus barcinonensis complexed with xylose.
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A, ...
Authors:Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-09-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
5M6O
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BU of 5m6o by Molmil
Frutapin complexed with alpha-D-mannose
Descriptor: Frutapin, alpha-D-mannopyranose
Authors:de Sousa, F.D, Guo, J, Coker, A.R, de Oliveira Monteiro-Moreira, A, de Azevedo Moreira, R.
Deposit date:2016-10-25
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Frutapin, a lectin fromArtocarpus incisa(breadfruit): cloning, expression and molecular insights.
Biosci. Rep., 37, 2017
7BBU
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BU of 7bbu by Molmil
Crystal Structure of human Prolyl-tRNA synthetase in complex with NCP26 and L-Proline
Descriptor: 1,2-ETHANEDIOL, Bifunctional glutamate/proline--tRNA ligase, CHLORIDE ION, ...
Authors:Johansson, C, Tye, M, Payne, N.C, Mazitschek, R, Krojer, T, Oppermann, U.C.T.
Deposit date:2020-12-18
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal Structure of human Prolyl-tRNA synthetase in complex with NCP26 and L-Proline
To Be Published

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PDB entries from 2024-08-28

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