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7AON
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BU of 7aon by Molmil
Crystal structure of CI2 double mutant L49I,I57V
Descriptor: GLYCEROL, SULFATE ION, Subtilisin-chymotrypsin inhibitor-2A
Authors:Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V.
Deposit date:2020-10-14
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli.
Commun Biol, 4, 2021
7AUD
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BU of 7aud by Molmil
Structure of an engineered helicase domain construct for human Bloom syndrome protein (BLM)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Bloom syndrome protein,Bloom syndrome protein, DNA (5'-D(*GP*TP*AP*CP*CP*CP*GP*AP*TP*GP*TP*GP*T)-3'), ...
Authors:Chen, X, Oliver, A.W.
Deposit date:2020-11-02
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Uncovering an allosteric mode of action for a selective inhibitor of human Bloom syndrome protein.
Elife, 10, 2021
7QO2
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BU of 7qo2 by Molmil
Peptide GAKSAA in complex with human cathepsin V C25A mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ...
Authors:Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D.
Deposit date:2021-12-23
Release date:2023-01-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Peptide GAKSAA in complex with human cathepsin V C25A mutant
To Be Published
6CNP
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BU of 6cnp by Molmil
Crystal structure of MBD2 complex with methylated CpG island
Descriptor: CALCIUM ION, DNA (5'-D(*GP*CP*CP*AP*CP*(5CM)P*GP*GP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, ...
Authors:Xu, C, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-03-08
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA.
J. Biol. Chem., 293, 2018
6D0K
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BU of 6d0k by Molmil
Crystal structure of a CLC-type fluoride/proton antiporter, E118Q mutant
Descriptor: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, CLC-type fluoride/proton antiporter, DECYL-BETA-D-MALTOPYRANOSIDE, ...
Authors:Last, N.B, Stockbridge, R.B, Wilson, A.E, Shane, T, Kolmakova-Partensky, L, Koide, A, Koide, S, Miller, C.
Deposit date:2018-04-10
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:A CLC-type F-/H+antiporter in ion-swapped conformations.
Nat. Struct. Mol. Biol., 25, 2018
7QW5
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BU of 7qw5 by Molmil
Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate unmethylated DNA duplex
Descriptor: Modification methylase BseCI, S-ADENOSYL-L-HOMOCYSTEINE, Unmethylated DNA duplex
Authors:Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M.
Deposit date:2022-01-24
Release date:2023-01-25
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus.
To Be Published
7B1A
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BU of 7b1a by Molmil
Myosin-II-AA mutant motor domain
Descriptor: 1,2-ETHANEDIOL, ADP METAVANADATE, MAGNESIUM ION, ...
Authors:Ewert, W, Preller, M.
Deposit date:2020-11-24
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Unraveling a Force-Generating Allosteric Pathway of Actomyosin Communication Associated with ADP and P i Release.
Int J Mol Sci, 22, 2020
6JD9
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BU of 6jd9 by Molmil
Proteus mirabilis lipase mutant - I118V/E130G
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha/beta hydrolase, CALCIUM ION
Authors:Heater, B.S, Chan, W.S, Chan, M.K.
Deposit date:2019-01-31
Release date:2019-07-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Directed evolution of a genetically encoded immobilized lipase for the efficient production of biodiesel from waste cooking oil.
Biotechnol Biofuels, 12, 2019
7ZGL
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BU of 7zgl by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Snee, M, Levy, C, Kavanagh, M.
Deposit date:2022-04-04
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
To Be Published
7QQ2
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BU of 7qq2 by Molmil
CRYSTAL STRUCTURE OF AS-ISOLATED S321M MUTANT OF THREE-DOMAIN HEME-CU NITRITE REDUCTASE FROM RALSTONIA PICKETTII
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, HEME C
Authors:Petchyam, N, Antonyuk, S, Hasnain, S.S.
Deposit date:2022-01-06
Release date:2023-01-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural studies of haem three-domain copper nitrite reductase mutants from Ralstonia pickettii
To Be Published
7B33
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BU of 7b33 by Molmil
MST3 in complex with MRIA11
Descriptor: 1,2-ETHANEDIOL, 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24
Authors:Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-11-28
Release date:2020-12-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
7ZHQ
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BU of 7zhq by Molmil
Crystal structure of TTBK1 in complex with compound 10 (7-009)
Descriptor: (3~{S})-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-methyl-pent-1-yn-3-ol, 1,2-ETHANEDIOL, 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
7LTD
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BU of 7ltd by Molmil
X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 1
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-19
Release date:2022-08-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (0.9 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
7AGI
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BU of 7agi by Molmil
The structure of Artemis variant H35D
Descriptor: 1,2-ETHANEDIOL, Protein artemis, ZINC ION
Authors:Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Gileadi, O.
Deposit date:2020-09-22
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition.
Nucleic Acids Res., 49, 2021
7ZHO
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BU of 7zho by Molmil
Crystal structure of TTBK1 in complex with compound 3 (7-001)
Descriptor: 1,2-ETHANEDIOL, 4-[3-(2-azanylpyrimidin-4-yl)-1~{H}-indol-5-yl]-2-methyl-but-3-yn-2-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 (2.08 Å)
Cite:Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.
Sci Rep, 13, 2023
6CPY
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BU of 6cpy by Molmil
Structure of apo GRMZM2G135359 pseudokinase
Descriptor: GRMZM2G135359 pseudokinase
Authors:Aquino, B, Counago, R.M, Godoi, P.H.C, Massirer, K.B, Elkins, J.M, Arruda, P, Structural Genomics Consortium (SGC)
Deposit date:2018-03-14
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of apo GRMZM2G135359 pseudokinase
To be Published
7ZJJ
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BU of 7zjj by Molmil
CspZ (BbCRASP-2) from Borrelia burgdorferi strain B379
Descriptor: CspZ, NITRATE ION
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 (2.1 Å)
Cite:Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023
6CQB
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BU of 6cqb by Molmil
Crystal Structure of Piper methysticum Chalcone Synthase
Descriptor: Chalcone synthase
Authors:Pluskal, T, Weng, J.K.
Deposit date:2018-03-14
Release date:2018-04-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:The biosynthetic origin of psychoactive kavalactones in kava.
Nat.Plants, 5, 2019
7QRR
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BU of 7qrr by Molmil
Crystal structure of Noumeavirus NMV_189 protein
Descriptor: CHLORIDE ION, NMV_189 protein, PHOSPHATE ION
Authors:Jeudy, S, Abergel, C.
Deposit date:2022-01-11
Release date:2023-01-25
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The fibre head structure used by unrelated families of viruses is unexpectedly a major component of the Marseilleviridae and Zamilon virophages capsids
To Be Published
7ZJM
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BU of 7zjm by Molmil
Crystal structure of a complex between CspZ from Borrelia burgdorferi strain B408 and human FH SCR domains 6-7
Descriptor: Complement factor H, CspZ, DI(HYDROXYETHYL)ETHER, ...
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:2024-10-23
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural evolution of an immune evasion determinant shapes pathogen host tropism.
Proc.Natl.Acad.Sci.USA, 120, 2023
7LTI
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BU of 7lti by Molmil
X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 2
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Yabukarski, F, Doukov, T, Herschlag, D.
Deposit date:2021-02-19
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.91 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
7QVN
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BU of 7qvn by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with(1H-pyrazol-5-yl)methanol
Descriptor: 1~{H}-pyrazol-5-ylmethanol, Cholinephosphate cytidylyltransferase, Guanidinium
Authors:Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
Deposit date:2022-01-22
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
8SSF
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BU of 8ssf by Molmil
Minimal protein-only/RNA-free Ribonuclease P from Hydrogenobacter thermophilus
Descriptor: RNA-free ribonuclease P, SULFATE ION
Authors:Mendoza, J, Mallik, L, Wilhelm, C.A, Koutmos, M.
Deposit date:2023-05-08
Release date:2023-10-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Bacterial RNA-free RNase P: Structural and functional characterization of multiple oligomeric forms of a minimal protein-only ribonuclease P.
J.Biol.Chem., 299, 2023
7LTV
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BU of 7ltv by Molmil
X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 3
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 (0.95 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
7QQ7
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BU of 7qq7 by Molmil
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor at partial occupancy with PEG
Descriptor: ACETATE ION, BROMIDE ION, CHLORIDE ION, ...
Authors:Snee, M, Levy, C, Kavanagh, M.
Deposit date:2022-01-06
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with an inhibitor at partial occupancy with PEG
To Be Published

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