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8T0P
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BU of 8t0p by Molmil
Structure of Cse4 bound to Ame1 and Okp1
Descriptor: Histone H3-like centromeric protein CSE4, Inner kinetochore subunit AME1, Inner kinetochore subunit OKP1, ...
Authors:Deng, S, Harrison, S.C.
Deposit date:2023-06-01
Release date:2023-09-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Recognition of centromere-specific histone Cse4 by the inner kinetochore Okp1-Ame1 complex.
Embo Rep., 24, 2023
7LU0
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BU of 7lu0 by Molmil
X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 4
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-20
Release date:2022-08-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7QQI
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BU of 7qqi by Molmil
Sucrose phosphorylase from Faecalibaculum rodentium
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aamy domain-containing protein
Authors:Ubiparip, Z, Capra, N, Rozeboom, H.J, Desmet, T, Thunnissen, A.M.W.H.
Deposit date:2022-01-08
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Sucrose phosphorylase from Faecalibaculum rodentium
To Be Published
7LU1
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BU of 7lu1 by Molmil
X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 5
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-20
Release date:2022-08-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7ZHP
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BU of 7zhp by Molmil
Crystal structure of TTBK1 in complex with compound 9 (7-005)
Descriptor: 1,2-ETHANEDIOL, 1-(4-azanyl-3,5,12-triazatetracyclo[9.7.0.0^{2,7}.0^{13,18}]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)-3-ethyl-pent-1-yn-3-ol, PHOSPHATE ION, ...
Authors:Chaikuad, A, Axtman, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-04-06
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.
Sci Rep, 13, 2023
7QPR
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BU of 7qpr by Molmil
Structure of full length SpoT
Descriptor: ACT domain protein, CHLORIDE ION, CITRATE ANION, ...
Authors:Garcia-Pino, A, Tamman, H.
Deposit date:2022-01-05
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.513 Å)
Cite:Structure of full length SpoT
To Be Published
7LU2
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BU of 7lu2 by Molmil
X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 6
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-20
Release date:2022-08-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7QR9
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BU of 7qr9 by Molmil
Crystal structure of CK1 delta in complex with PK-09-82
Descriptor: 1,2-ETHANEDIOL, 4-[5-(4-fluorophenyl)-3-(pyridin-4-ylmethyl)imidazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine, Casein kinase I isoform delta, ...
Authors:Chaikuad, A, Khirsariya, P, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-01-10
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Potent and Exquisitely Selective Inhibitors of Kinase CK1 with Tunable Isoform Selectivity.
Angew.Chem.Int.Ed.Engl., 62, 2023
7LU3
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BU of 7lu3 by Molmil
X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 7
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-20
Release date:2022-08-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
7QWC
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BU of 7qwc by Molmil
CC-Type1-(UbUc)4
Descriptor: CC-Type1-(UbUc)4
Authors:Martin, F.J.O, Zieleniewski, F, Dawson, W.M, Woolfson, D.N.
Deposit date:2022-01-25
Release date:2023-02-01
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:CC-Type1-(UbUc)4
To Be Published
7QSE
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BU of 7qse by Molmil
human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylbenzyl)amino)ethyl)amino)benzamide
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-01-13
Release date:2023-01-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.428 Å)
Cite:human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylbenzyl)amino)ethyl)amino)benzamide
To Be Published
6CDU
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BU of 6cdu by Molmil
Crystal structure of a chimeric human alpha1GABAA receptor in complex with alphaxalone
Descriptor: (3a,5a)-3-Hydroxypregnane-11,20-dione, chimeric alpha1GABAA receptor
Authors:Chen, Q, Arjunan, P, Cohen, A.E, Xu, Y, Tang, P.
Deposit date:2018-02-09
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Structural basis of neurosteroid anesthetic action on GABAAreceptors.
Nat Commun, 9, 2018
7QRB
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BU of 7qrb by Molmil
Crystal structure of CK1 delta in complex with PK-09-129
Descriptor: 3-(dimethylamino)-~{N}-[4-[4-(4-fluorophenyl)-5-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]cyclohexyl]propane-1-sulfonamide, Casein kinase I isoform delta, SULFATE ION
Authors:Chaikuad, A, Khirsariya, P, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-01-10
Release date:2023-01-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Potent and Exquisitely Selective Inhibitors of Kinase CK1 with Tunable Isoform Selectivity.
Angew.Chem.Int.Ed.Engl., 62, 2023
7AP4
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BU of 7ap4 by Molmil
Thermus thermophilus Aspartyl-tRNA Synthetase in Complex with Compound AspS7HMDDA
Descriptor: (3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid, Aspartate--tRNA(Asp) ligase
Authors:De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2020-10-15
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors.
Molecules, 25, 2020
7LTB
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BU of 7ltb by Molmil
Crystal Structure of Keratinicyclin B
Descriptor: (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol, 3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose-(1-2)-beta-D-glucopyranose, FORMIC ACID, ...
Authors:Davis, K.M, Jeffrey, P.D, Seyedsayamdost, M.R.
Deposit date:2021-02-19
Release date:2022-12-07
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Potent and specific antibiotic combination therapy against Clostridioides difficile.
Nat.Chem.Biol., 20, 2024
7AQ5
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BU of 7aq5 by Molmil
Pseudomonas stutzeri nitrous oxide reductase mutant, H583N
Descriptor: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O.
Deposit date:2020-10-20
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
7AH2
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BU of 7ah2 by Molmil
Crystal structure of Zebrafish MDM2 RING domain homodimer
Descriptor: E3 ubiquitin-protein ligase Mdm2, ZINC ION
Authors:Magnussen, H.M, Huang, D.T.
Deposit date:2020-09-24
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.872 Å)
Cite:Identification of a Catalytic Active but Non-Aggregating MDM2 RING Domain Variant.
J.Mol.Biol., 433, 2021
7ZJK
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BU of 7zjk by Molmil
CspZ (BbCRASP-2) from Borrelia burgdorferi strain B408
Descriptor: CspZ
Authors:Brangulis, K, Marcinkiewicz, A, Hart, T.M, Dupuis, A.P, Zamba Campero, M, Nowak, T.A, Stout, J.L, Akopjana, I, Kazaks, A, Bogans, J, Ciota, A.T, Kraiczy, P, Kolokotronis, S.O, Lin, Y.-P.
Deposit date:2022-04-11
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023
7LKC
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BU of 7lkc by Molmil
Crystal Structure of Keratinimicin A
Descriptor: (2~{S},4~{S},5~{R},6~{S})-4-azanyl-5-methoxy-6-methyl-oxan-2-ol, CHLORIDE ION, FORMIC ACID, ...
Authors:Davis, K.M, Jeffrey, P.D, Seyedsayamdost, M.R.
Deposit date:2021-02-02
Release date:2022-12-07
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Potent and specific antibiotic combination therapy against Clostridioides difficile.
Nat.Chem.Biol., 20, 2024
7QU9
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BU of 7qu9 by Molmil
Structure of aminodeoxychorismate synthase component 1 (PabB) from Bacillus subtilis spizizenii.
Descriptor: Anthranilate synthase component I family protein, GLYCEROL, TRYPTOPHAN
Authors:Rooms, L.D, Race, P.R, Back, C.B, Burton, N.B, Willis, C.L, Stach, J.E.M, Duke, P.W, Hawkins, C.
Deposit date:2022-01-17
Release date:2023-01-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure of aminodeoxychorismate synthase component 1 (PabB) from Bacillus subtilis spizizenii.
To Be Published
6IYX
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BU of 6iyx by Molmil
Crystal Structure Analysis of a Eukaryotic Membrane Protein
Descriptor: BROMIDE ION, CALCIUM ION, Trimeric intracellular cation channel type A
Authors:Zeng, Y, Wang, X.H, Gao, F, Su, M, Chen, Y.H.
Deposit date:2018-12-17
Release date:2019-05-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
7QVK
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BU of 7qvk by Molmil
NM-02 in complex with HER2-ECD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, NM-02, Receptor tyrosine-protein kinase erbB-2, ...
Authors:Cowan, R, Hall, G, Carr, M.
Deposit date:2022-01-21
Release date:2023-02-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Co-crystallisation and humanisation of an anti-HER2 single-domain antibody as a theranostic tool.
Plos One, 18, 2023
6IZ5
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BU of 6iz5 by Molmil
Crystal Structure Analysis of a Eukaryotic Membrane Protein
Descriptor: Trimeric intracellular cation channel type B-B
Authors:Li, D, Su, M, Hendrickson, W.A, Chen, Y.H.
Deposit date:2018-12-18
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.701 Å)
Cite:Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
7QSG
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BU of 7qsg by Molmil
Methylmannose polysaccharide mannosyltransferase from M. hassiacum
Descriptor: D-inositol 3-phosphate glycosyltransferase
Authors:Manso, J.A, Ripoll-Rozada, J, Pereira, P.J.B.
Deposit date:2022-01-13
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Self-recycling and partially conservative replication of mycobacterial methylmannose polysaccharides.
Commun Biol, 6, 2023
6IZW
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BU of 6izw by Molmil
Myxococcus xanthus MglA bound to GTP-gamma-S and MglB
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Gliding motility protein MglB, MAGNESIUM ION, ...
Authors:Baranwal, J, Gayathri, P.
Deposit date:2018-12-20
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Allosteric regulation of a prokaryotic small Ras-like GTPase contributes to cell polarity oscillations in bacterial motility.
Plos Biol., 17, 2019

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