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3CZU
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BU of 3czu by Molmil
Crystal structure of the human ephrin A2- ephrin A1 complex
Descriptor: Ephrin type-A receptor 2, Ephrin-A1, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Walker, J.R, Yermekbayeva, L, Seitova, A, Butler-Cole, C, Bountra, C, Wikstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2008-04-30
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Architecture of Eph receptor clusters.
Proc.Natl.Acad.Sci.USA, 107, 2010
1IE4
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BU of 1ie4 by Molmil
RAT TRANSTHYRETIN COMPLEX WITH THYROXINE (T4)
Descriptor: 3,5,3',5'-TETRAIODO-L-THYRONINE, TRANSTHYRETIN
Authors:Wojtczak, A.
Deposit date:2001-04-06
Release date:2002-04-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of rat transthyretin (rTTR) complex with thyroxine at 2.5 A resolution: first non-biased insight into thyroxine binding reveals different hormone orientation in two binding sites.
Acta Crystallogr.,Sect.D, 57, 2001
5DLT
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BU of 5dlt by Molmil
Crystal structure of Autotaxin (ENPP2) with 7-alpha-hydroxycholesterol
Descriptor: 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
Authors:Hausmann, J, Joosten, R.P, Perrakis, A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling.
Nat Commun, 7, 2016
7BRD
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BU of 7brd by Molmil
Crystal structure of Peptidyl-tRNA hydrolase from Klebsiella pneumoniae
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ...
Authors:Mundra, S, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A.
Deposit date:2020-03-27
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Structural and functional characterization of peptidyl-tRNA hydrolase from Klebsiella pneumoniae.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
4UAU
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BU of 4uau by Molmil
Crystal structure of CbbY (mutant D10N) from Rhodobacter sphaeroides in complex with Xylulose-(1,5)bisphosphate, crystal form II
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Protein CbbY, ...
Authors:Bracher, A, Sharma, A, Starling-Windhof, A, Hartl, F.U, Hayer-Hartl, M.
Deposit date:2014-08-11
Release date:2014-12-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Degradation of potent Rubisco inhibitor by selective sugar phosphatase.
Nat.Plants, 1, 2015
5DMZ
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BU of 5dmz by Molmil
Structure of human Bub1 kinase domain phosphorylated at Ser969
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitotic checkpoint serine/threonine-protein kinase BUB1
Authors:Breit, C, Weir, J.R, Musacchio, A.
Deposit date:2015-09-09
Release date:2015-12-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Role of Intrinsic and Extrinsic Factors in the Regulation of the Mitotic Checkpoint Kinase Bub1.
Plos One, 10, 2015
5L4M
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BU of 5l4m by Molmil
Crystal Structure of Human Transthyretin in Complex with 3,5,6-Trichloro-2-pyridinyloxyacetic acid (Triclopyr)
Descriptor: SODIUM ION, Transthyretin, Triclopyr
Authors:Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E.
Deposit date:2016-05-25
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.581 Å)
Cite:Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
7BD7
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BU of 7bd7 by Molmil
X-ray structure of Arsenoplatin-1-encapsulated horse spleen ferritin
Descriptor: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
Authors:Ferraro, G, Merlino, A.
Deposit date:2020-12-21
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Arsenoplatin-Ferritin Nanocage: Structure and Cytotoxicity.
Int J Mol Sci, 22, 2021
5L83
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BU of 5l83 by Molmil
Complex of potato ATG8 protein with a peptide from Irish potato famine pathogen effector protein PexRD54
Descriptor: 1,2-ETHANEDIOL, ASP-TRP-GLU-ILE-VAL, Autophagy-related protein, ...
Authors:Maqbool, A, Hughes, R.K, Banfield, M.J.
Deposit date:2016-06-06
Release date:2016-08-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis of Host Autophagy-related Protein 8 (ATG8) Binding by the Irish Potato Famine Pathogen Effector Protein PexRD54.
J.Biol.Chem., 291, 2016
7BXV
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BU of 7bxv by Molmil
11A1 antibody-peptide complex
Descriptor: 1,2-ETHANEDIOL, Fab of the 11A1 antibody H chain, Fab of the 11A1 antibody L chain, ...
Authors:Irie, K, Irie, Y, Kita, A, Miki, K.
Deposit date:2020-04-21
Release date:2021-04-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:APOE epsilon 4 allele advances the age-dependent decline of amyloid beta clearance in the human cortex.
Biorxiv, 2022
1INV
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BU of 1inv by Molmil
A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES
Descriptor: (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:White, C.L, Janakiraman, M.N, Laver, W.G, Philippon, C, Vasella, A, Air, G.M, Luo, M.
Deposit date:1994-09-26
Release date:1995-02-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies.
J.Mol.Biol., 245, 1995
5L3A
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BU of 5l3a by Molmil
Fragment-based discovery of 6-arylindazole JAK inhibitors
Descriptor: Tyrosine-protein kinase JAK2, ~{N}-(1~{H}-indazol-4-yl)methanesulfonamide
Authors:Soerensen, M.D, Dack, K.N, Greve, D.R, Ritzen, A.
Deposit date:2016-04-06
Release date:2016-04-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Fragment-Based Discovery of 6-Arylindazole JAK Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5LAW
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BU of 5law by Molmil
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 14
Descriptor: 2-[(3~{S},3'~{a}~{S},6'~{S},6'~{a}~{S})-6-chloranyl-6'-(3-chlorophenyl)-4'-(cyclopropylmethyl)-2-oxidanylidene-spiro[1~{H}-indole-3,5'-3,3~{a},6,6~{a}-tetrahydro-2~{H}-pyrrolo[3,2-b]pyrrole]-1'-yl]ethanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Kessler, D, Gollner, A.
Deposit date:2016-06-15
Release date:2016-11-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
5LAZ
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BU of 5laz by Molmil
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND BI-0252
Descriptor: 4-[(2~{R},3~{a}~{S},5~{S},6~{S},6~{a}~{S})-6'-chloranyl-6-(3-chloranyl-2-fluoranyl-phenyl)-4-(cyclopropylmethyl)-2'-oxidanylidene-spiro[1,2,3,3~{a},6,6~{a}-hexahydropyrrolo[3,2-b]pyrrole-5,3'-1~{H}-indole]-2-yl]benzoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION, ...
Authors:Kessler, D, Gollner, A.
Deposit date:2016-06-15
Release date:2016-11-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
7BJN
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BU of 7bjn by Molmil
Crystal structure of atypical Tm1 (Tm1-I/C), residues 270-334
Descriptor: SD21996p
Authors:Dimitrova-Paternoga, L, Jagtap, P.K.A, Ephrussi, A, Hennig, J.
Deposit date:2021-01-14
Release date:2021-05-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of mRNA transport by a kinesin-1-atypical tropomyosin complex.
Genes Dev., 35, 2021
7BJG
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BU of 7bjg by Molmil
Crystal structure of atypical Tm1 (Tm1-I/C), residues 262-363
Descriptor: SD21996p
Authors:Dimitrova-Paternoga, L, Jagtap, P.K.A, Ephrussi, A, Hennig, J.
Deposit date:2021-01-14
Release date:2021-05-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Molecular basis of mRNA transport by a kinesin-1-atypical tropomyosin complex.
Genes Dev., 35, 2021
7BJS
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BU of 7bjs by Molmil
Crystal structure of Khc/atypical Tm1 complex
Descriptor: Kinesin heavy chain, SD21996p
Authors:Dimitrova-Paternoga, L, Jagtap, P.K.A, Ephrussi, A, Hennig, J.
Deposit date:2021-01-14
Release date:2021-05-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Molecular basis of mRNA transport by a kinesin-1-atypical tropomyosin complex.
Genes Dev., 35, 2021
5L84
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BU of 5l84 by Molmil
Structure of the H959F variant of the PpsC dehydratase domain from Mycobacterium tuberculosis
Descriptor: Phthiocerol synthesis polyketide synthase type I PpsC
Authors:Faille, A, Gavalda, S, Mourey, L, Pedelacq, J.D.
Deposit date:2016-06-07
Release date:2017-08-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Insights into Substrate Modification by Dehydratases from Type I Polyketide Synthases.
J. Mol. Biol., 429, 2017
9DPF
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BU of 9dpf by Molmil
Crystal structure of TMPRSS11D S368A complexed with its own zymogen activation motif
Descriptor: 1,2-ETHANEDIOL, Transmembrane protease serine 11D, Transmembrane protease serine 11D non-catalytic chain
Authors:Fraser, B.J, Dong, A, Ilyassov, O, Seitova, A, Li, Y, Edwards, A, Benard, F, Arrowsmith, C, Structural Genomics Consortium (SGC)
Deposit date:2024-09-21
Release date:2024-10-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of TMPRSS11D S368A complexed with its own zymogen activation motif
To Be Published
6QKM
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BU of 6qkm by Molmil
Diallyl trisulfide inhibited sulfur oxygenase reductase
Descriptor: FE (III) ION, Sulfur oxygenase/reductase
Authors:Frazao, C, Klezin, A, Poell, U.
Deposit date:2019-01-29
Release date:2020-02-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Multiple sulfane modifications in active-site cysteine thiols of two sulfur oxygenase reductases and analysis of substrate/product channels
To Be Published
5LAV
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BU of 5lav by Molmil
Novel Spiro[3H-indole-3,2 -pyrrolidin]-2(1H)-one Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) in complex with compound 6b
Descriptor: (3~{S},3'~{S},4'~{S})-4'-azanyl-6-chloranyl-3'-(3-chlorophenyl)-1'-(2,2-dimethylpropyl)spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Kessler, D, Gollner, A.
Deposit date:2016-06-15
Release date:2016-11-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
5LAY
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BU of 5lay by Molmil
Discovery of New Natural-product-inspired Spiro-oxindole Compounds as Orally Active Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 6g
Descriptor: (3~{S},3'~{S},4'~{S},5'~{S})-4'-azanyl-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-[(3-ethoxyphenyl)methyl]-5'-methyl-spiro[1~{H}-indole-3,2'-pyrrolidine]-2-one, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
Authors:Kessler, D, Gollner, A.
Deposit date:2016-06-15
Release date:2016-11-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Discovery of Novel Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-one Compounds as Chemically Stable and Orally Active Inhibitors of the MDM2-p53 Interaction.
J. Med. Chem., 59, 2016
7BJT
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BU of 7bjt by Molmil
Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT
Descriptor: Alginate lyase, family PL17, CALCIUM ION, ...
Authors:Czjzek, M, Roret, T, Jouanneau, D, Le Duff, N, Jeudy, A.
Deposit date:2021-01-14
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT.
Glycobiology, 31, 2021
7BM6
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BU of 7bm6 by Molmil
Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT
Descriptor: 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-D-mannopyranuronic acid, Alginate lyase, family PL17, ...
Authors:Czjzek, M, Roret, T, Jouanneau, D, Le Duff, N, Jeudy, A.
Deposit date:2021-01-19
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT.
Glycobiology, 31, 2021
7O19
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BU of 7o19 by Molmil
Cryo-EM structure of an Escherichia coli TnaC-ribosome complex stalled in response to L-tryptophan
Descriptor: 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ...
Authors:van der Stel, A.X, Gordon, E.R, Sengupta, A, Martinez, A.K, Klepacki, D, Perry, T.N, Herrero del Valle, A, Vazquez-Laslop, N, Sachs, M.S, Cruz-Vera, L.R, Innis, C.A.
Deposit date:2021-03-29
Release date:2021-09-01
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for the tryptophan sensitivity of TnaC-mediated ribosome stalling.
Nat Commun, 12, 2021

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