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8TXW
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BU of 8txw by Molmil
Cryo-EM structure of the human nucleosome core particle ubiquitylated at histone H2A K15 in complex with RNF168 (Class 2)
Descriptor: DNA (147-MER), E3 ubiquitin-protein ligase RNF168, Histone H2A type 1-B/E, ...
Authors:Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G.
Deposit date:2023-08-24
Release date:2024-01-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
6I3S
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BU of 6i3s by Molmil
Crystal structure of MDM2 in complex with compound 13.
Descriptor: (3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
Authors:Bader, G, Kessler, D.
Deposit date:2018-11-07
Release date:2018-12-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Targeted Synthesis of Complex Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-ones by Intramolecular Cyclization of Azomethine Ylides: Highly Potent MDM2-p53 Inhibitors.
ChemMedChem, 14, 2019
7EME
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BU of 7eme by Molmil
Putative Leptospira interrogans recombinant L-amino acid oxidase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)/FAD-dependent oxidoreductase
Authors:Vaigundan, D, Yuvaraj, I, Krishnaswamy, P.R, Sekar, K, Murthy, M.R.N, Sunita, P.
Deposit date:2021-04-13
Release date:2021-08-18
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural characterization of a putative recombinant L-amino acid oxidase from Leptospira interrogans
Curr.Sci., 123, 2022
8U5A
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BU of 8u5a by Molmil
Improving protein expression, stability, and function with ProteinMPNN
Descriptor: Designed myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kalvet, I, Bera, A.K, Baker, D.
Deposit date:2023-09-12
Release date:2024-01-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Improving Protein Expression, Stability, and Function with ProteinMPNN.
J.Am.Chem.Soc., 146, 2024
5HUC
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BU of 5huc by Molmil
DAHP synthase from Corynebacterium glutamicum
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-Deoxy-D-arabino-heptulosonate 7-phosphate (DAHP) synthase, MANGANESE (II) ION, ...
Authors:Burschowsky, D, Heim, J.B, Thorbjoernsrud, H.V, Krengel, U.
Deposit date:2016-01-27
Release date:2017-08-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Inter-Enzyme Allosteric Regulation of Chorismate Mutase in Corynebacterium glutamicum: Structural Basis of Feedback Activation by Trp.
Biochemistry, 57, 2018
5H7R
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BU of 5h7r by Molmil
Structural basis of the flanking zinc-finger motifs crucial for the E3 ligase activity of the LNX1 RING domain
Descriptor: E3 ubiquitin-protein ligase LNX, ZINC ION
Authors:Nayak, D, Sivaraman, J.
Deposit date:2016-11-21
Release date:2017-11-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of LNX1:Ubc13~Ubiquitin Complex Reveals the Role of Additional Motifs for the E3 Ligase Activity of LNX1.
J. Mol. Biol., 430, 2018
5HV8
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BU of 5hv8 by Molmil
Solution structure of an octanoyl- loaded acyl carrier protein domain from module MLSA2 of the mycolactone polyketide synthase.
Descriptor: S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate, Type I modular polyketide synthase
Authors:Vance, S, Tkachenko, O, Thomas, B, Bassuni, M, Hong, H, Nietlispach, D, Broadhurst, R.W.
Deposit date:2016-01-28
Release date:2016-03-09
Last modified:2019-10-23
Method:SOLUTION NMR
Cite:Sticky swinging arm dynamics: studies of an acyl carrier protein domain from the mycolactone polyketide synthase.
Biochem.J., 473, 2016
5HZH
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BU of 5hzh by Molmil
Crystal structure of photoinhibitable Rac1 containing C450A mutant LOV2 domain
Descriptor: CALCIUM ION, FLAVIN MONONUCLEOTIDE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I.
Deposit date:2016-02-02
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering extrinsic disorder to control protein activity in living cells.
Science, 354, 2016
5HZZ
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BU of 5hzz by Molmil
Crystal structure of DR2231_E47A mutant in complex with dUMP and manganese
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DR2231, MANGANESE (II) ION
Authors:Mota, C.S, Goncalves, A.M.D, de Sanctis, D.
Deposit date:2016-02-03
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Deinococcus radiodurans DR2231 is a two-metal-ion mechanism hydrolase with exclusive activity on dUTP.
FEBS J., 283, 2016
8X2W
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BU of 8x2w by Molmil
Crystal structure of the ancestral GH19 chitinase, Anc4+LoopII (P12K/N13H/S58T/N193G/Y194F/D197R)
Descriptor: the ancestral GH19 chitinase, Anc4+LoopII (P12K/N13H/S58T/N193G/Y194F/D197R)
Authors:Kozome, D, Laurino, P.
Deposit date:2023-11-10
Release date:2024-04-03
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Remote loop evolution reveals a complex biological function for chitinase enzymes beyond the active site.
Nat Commun, 15, 2024
5HL4
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BU of 5hl4 by Molmil
Acoustic injectors for drop-on-demand serial femtosecond crystallography
Descriptor: COBALT HEXAMMINE(III), FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
8X2K
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BU of 8x2k by Molmil
a lipid receptor complex structure
Descriptor: (Z)-N-(2-hydroxyethyl)octadec-9-enamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Geng, C, Yang, D, Jun, X.
Deposit date:2023-11-09
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:a lipid receptor complex structure
To Be Published
5H64
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BU of 5h64 by Molmil
Cryo-EM structure of mTORC1
Descriptor: Regulatory-associated protein of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
Authors:Yang, H, Wang, J, Liu, M, Chen, X, Huang, M, Tan, D, Dong, M, Wong, C.C.L, Wang, J, Xu, Y, Wang, H.
Deposit date:2016-11-10
Release date:2017-01-25
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:4.4 angstrom Resolution Cryo-EM structure of human mTOR Complex 1
Protein Cell, 7, 2016
5GUI
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BU of 5gui by Molmil
Crystal structure of the N-terminal Domain of Caseinolytic protease associated chaperone ClpC1 from Arabidopsis thaliana
Descriptor: Chaperone protein ClpC1, chloroplastic, PHOSPHATE ION
Authors:Jagdev, M.K, Vasudevan, D.
Deposit date:2016-08-29
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structures reveal N-terminal Domain of Arabidopsis thaliana ClpD to be highly divergent from that of ClpC1.
Sci Rep, 7, 2017
8X2V
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BU of 8x2v by Molmil
Crystal structure of the ancestral GH19 chitinase, Anc4+LoopII (P12K/N13H mutant)
Descriptor: GH19 chitinase
Authors:Kozome, D, Laurino, P.
Deposit date:2023-11-10
Release date:2024-04-03
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Remote loop evolution reveals a complex biological function for chitinase enzymes beyond the active site.
Nat Commun, 15, 2024
6IC9
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BU of 6ic9 by Molmil
Crystal structure of the SPOC domain of human PHF3 in complex with RNA polymerase II CTD diheptapeptide phosphorylated on Ser2Ser7
Descriptor: PHD finger protein 3, TYR-SEP-PRO-THR-SER-PRO-SEP-TYR-SEP-PRO-THR-SER-PRO
Authors:Grishkovskaya, I, Djinovic-Carugo, K, Slade, D.
Deposit date:2018-12-03
Release date:2020-07-15
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:PHF3 regulates neuronal gene expression through the Pol II CTD reader domain SPOC
Nat Commun, 12, 2021
1CEW
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BU of 1cew by Molmil
THE 2.0 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF CHICKEN EGG WHITE CYSTATIN AND ITS POSSIBLE MODE OF INTERACTION WITH CYSTEINE PROTEINASES
Descriptor: CYSTATIN
Authors:Bode, W, Musil, D, Huber, R.
Deposit date:1993-04-21
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:The 2.0 A X-ray crystal structure of chicken egg white cystatin and its possible mode of interaction with cysteine proteinases.
EMBO J., 7, 1988
5GAF
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BU of 5gaf by Molmil
RNC in complex with SRP
Descriptor: 1A9L SS, 23S ribosomal RNA, 50S ribosomal protein L10, ...
Authors:Jomaa, A, Boehringer, D, Leibundgut, M, Ban, N.
Deposit date:2015-11-25
Release date:2016-02-03
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structures of the E. coli translating ribosome with SRP and its receptor and with the translocon
Nat Commun, 7, 2016
1DCM
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BU of 1dcm by Molmil
STRUCTURE OF UNPHOSPHORYLATED FIXJ-N WITH AN ATYPICAL CONFORMER (MONOMER A)
Descriptor: MAGNESIUM ION, TRANSCRIPTIONAL REGULATORY PROTEIN FIXJ
Authors:Gouet, P, Fabry, B, Guillet, V, Birck, C, Mourey, L, Kahn, D, Samama, J.P.
Deposit date:1999-11-05
Release date:2000-11-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural transitions in the FixJ receiver domain.
Structure Fold.Des., 7, 1999
5G40
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BU of 5g40 by Molmil
Crystal structure of adenylate kinase ancestor 4 with Zn and AMP-ADP bound
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENYLATE KINSE, ...
Authors:Nguyen, V, Kutter, S, English, J, Kern, D.
Deposit date:2016-05-03
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Evolutionary drivers of thermoadaptation in enzyme catalysis.
Science, 355, 2017
5G49
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BU of 5g49 by Molmil
Crystal structure of the Arabodopsis thaliana histone-fold dimer L1L NF-YC3
Descriptor: ACETATE ION, CALCIUM ION, NUCLEAR TRANSCRIPTION FACTOR Y SUBUNIT B-6, ...
Authors:Gnesutta, N, Saad, D, Chaves-Sanjuan, A, Mantovani, R, Nardini, M.
Deposit date:2016-05-06
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the Arabidopsis thaliana L1L/NF-YC3 Histone-fold Dimer Reveals Specificities of the LEC1 Family of NF-Y Subunits in Plants.
Mol Plant, 10, 2017
5H2Z
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BU of 5h2z by Molmil
Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with 7GF
Descriptor: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Wu, D, Huang, J.
Deposit date:2016-10-19
Release date:2017-03-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with 7GF
To Be Published
7ZAK
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BU of 7zak by Molmil
Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
Authors:Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D.
Deposit date:2022-03-22
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes.
Immunity, 56, 2023
5HAF
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BU of 5haf by Molmil
Structure of Salmonella enterica effector protein SseL
Descriptor: Deubiquitinase SseL, POTASSIUM ION
Authors:Pruneda, J.N, Komander, D.
Deposit date:2015-12-30
Release date:2016-07-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Molecular Basis for Ubiquitin and Ubiquitin-like Specificities in Bacterial Effector Proteases.
Mol.Cell, 63, 2016
8X7P
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BU of 8x7p by Molmil
CCA-bound E46K alpha-synuclein fibrils
Descriptor: Alpha-synuclein, copper;trisodium;18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18-dihydroporphyrin-21,23-diide-2-carboxylate
Authors:Liu, K.E, Tao, Y.Q, Li, D, Liu, C.
Deposit date:2023-11-24
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Binding adaptability of chemical ligands to polymorphic alpha-synuclein amyloid fibrils.
Proc.Natl.Acad.Sci.USA, 121, 2024

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