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7VH9
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BU of 7vh9 by Molmil
Solution structure of the chimeric peptide of the first SURP domain of Human SF3A1 and the interacting region of SF1.
Descriptor: Splicing factor 3A subunit 1,Splicing factor 1
Authors:Muto, Y, Kuwasako, K, Takizawa, M, Kobayashi, N, Sakamoto, T.
Deposit date:2021-09-21
Release date:2022-09-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for the interaction between the first SURP domain of the SF3A1 subunit in U2 snRNP and the human splicing factor SF1.
Protein Sci., 31, 2022
5AV8
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BU of 5av8 by Molmil
human nucleosome core particle
Descriptor: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Wakamori, M, Fujii, Y, Umehara, T, Yokoyama, S.
Deposit date:2015-06-12
Release date:2015-12-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Intra- and inter-nucleosomal interactions of the histone H4 tail revealed with a human nucleosome core particle with genetically-incorporated H4 tetra-acetylation
Sci Rep, 5, 2015
5TFB
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BU of 5tfb by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with 7-methyl-GTP
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5TFI
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BU of 5tfi by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dGTP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5B31
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BU of 5b31 by Molmil
The crystal structure of the heterotypic H2AZ/H2A nucleosome with H3.1.
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
Authors:Horikoshi, N, Taguchi, H, Arimura, Y, Kurumizaka, H.
Deposit date:2016-02-08
Release date:2016-08-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of heterotypic nucleosomes containing histones H2A.Z and H2A.
Open Biology, 6, 2016
5AMZ
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BU of 5amz by Molmil
Crystal Structure of Thaumatin processed with the CrystalDirect automated mounting and cryo-cooling technology
Descriptor: Thaumatin I
Authors:Zander, U, Hoffmann, G, Cornaciu, I, Cipriani, F, Marquez, J.A.
Deposit date:2015-09-02
Release date:2016-04-20
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
7Z7D
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BU of 7z7d by Molmil
Tubulin-Todalam-Vinblastine-complex
Descriptor: (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Muehlethaler, T, Milanos, L, Ortega, J.A, Blum, T.B, Gioia, D, Roy, B, Prota, A.E, Cavalli, A, Steinmetz, M.O.
Deposit date:2022-03-15
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational Design of a Novel Tubulin Inhibitor with a Unique Mechanism of Action.
Angew.Chem.Int.Ed.Engl., 61, 2022
4ZTR
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BU of 4ztr by Molmil
Human Aurora A catalytic domain bound to FK1141
Descriptor: 6-({4-[(Z)-{(2Z)-2-[(4-ethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene}methyl]pyridin-2-yl}amino)pyridine-3-carboxylic acid, Aurora kinase A
Authors:Marcaida, M.J, Kilchmann, F, Schick, T, Reymond, J.L.
Deposit date:2015-05-15
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.
J.Med.Chem., 59, 2016
5TFA
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BU of 5tfa by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dUTP
Descriptor: Cystic fibrosis transmembrane conductance regulator, DEOXYURIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-24
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
5APN
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BU of 5apn by Molmil
Structure of the yeast 60S ribosomal subunit in complex with Arx1, Alb1 and N-terminally tagged Rei1
Descriptor: 25S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Greber, B.J, Gerhardy, S, Leitner, A, Leibundgut, M, Salem, M, Boehringer, D, Leulliot, N, Aebersold, R, Panse, V.G, Ban, V.
Deposit date:2015-09-17
Release date:2015-12-16
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Insertion of the Biogenesis Factor Rei1 Probes the Ribosomal Tunnel during 60S Maturation.
Cell, 164, 2015
5TFG
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BU of 5tfg by Molmil
Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with 5-methyl-UTP
Descriptor: 5-Methyluridine triphosphate, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F.
Deposit date:2016-09-25
Release date:2018-05-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
6MIZ
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BU of 6miz by Molmil
Human TRPM2 ion channel in an ADPR-bound state
Descriptor: Transient receptor potential cation channel subfamily M member 2
Authors:Wang, L, Fu, T.M, Xia, S, Wu, H.
Deposit date:2018-09-20
Release date:2018-12-12
Last modified:2019-01-02
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Structures and gating mechanism of human TRPM2.
Science, 362, 2018
5AAF
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BU of 5aaf by Molmil
Aurora A kinase bound to an imidazopyridine inhibitor (14a)
Descriptor: 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-N,N-dimethylbenzamide, AURORA KINASE A
Authors:McIntyre, P.J, Bayliss, R.
Deposit date:2015-07-24
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
5APF
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BU of 5apf by Molmil
Hen Egg White Lysozyme reference dataset even frames
Descriptor: LYSOZYME C, SODIUM ION
Authors:Lundholm, I, Rodilla, H, Wahlgren, W.Y, Duelli, A, Bourenkov, G, Vukusic, J, Friedman, R, Stake, J, Schneider, T, Katona, G.
Deposit date:2015-09-15
Release date:2016-01-13
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Terahertz Radiation Induces Non-Thermal Structural Changes Associated with Frohlich Condensation in a Protein Crystal
Struct.Dyn., 2, 2015
4UIS
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BU of 4uis by Molmil
The cryoEM structure of human gamma-Secretase complex
Descriptor: GAMMA-SECRETASE, LYSOZYME
Authors:Sun, L, Zhao, L, Yang, G, Yan, C, Zhou, R, Zhou, X, Xie, T, Zhao, Y, Wu, S, Li, X, Shi, Y.
Deposit date:2015-04-03
Release date:2015-06-10
Last modified:2017-08-02
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural Basis of Human Gamma-Secretase Assembly.
Proc.Natl.Acad.Sci.USA, 112, 2015
5AV6
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BU of 5av6 by Molmil
human nucleosome core particle
Descriptor: DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Wakamori, M, Fujii, Y, Umehara, T, Yokoyama, S.
Deposit date:2015-06-12
Release date:2015-12-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Intra- and inter-nucleosomal interactions of the histone H4 tail revealed with a human nucleosome core particle with genetically-incorporated H4 tetra-acetylation
Sci Rep, 5, 2015
4UHQ
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BU of 4uhq by Molmil
Crystal structure of the pyocin AP41 DNase
Descriptor: CITRIC ACID, LARGE COMPONENT OF PYOCIN AP41, NICKEL (II) ION
Authors:Joshi, A, Chen, S, Wojdyla, J.A, Kaminska, R, Kleanthous, C.
Deposit date:2015-03-25
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of the Ultra-High Affinity Protein-Protein Complexes of Pyocins S2 and Ap41 and Their Cognate Immunity Proteins from Pseudomonas Aeruginosa
J.Mol.Biol., 427, 2015
5VEY
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BU of 5vey by Molmil
Solution NMR structure of histone H2A-H2B mono-ubiquitylated at H2A Lys15 in complex with RNF169 (653-708)
Descriptor: E3 ubiquitin-protein ligase RNF169, Histone H2B type 1-J,Histone H2A type 1-B/E, Polyubiquitin-B
Authors:Hu, Q, Botuyan, M.V, Cui, G, Mer, G.
Deposit date:2017-04-06
Release date:2017-05-17
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Mechanisms of Ubiquitin-Nucleosome Recognition and Regulation of 53BP1 Chromatin Recruitment by RNF168/169 and RAD18.
Mol. Cell, 66, 2017
5A6E
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BU of 5a6e by Molmil
Cryo-EM structure of the Slo2.2 Na-activated K channel
Descriptor: GATING RING OF POTASSIUM CHANNEL SUBFAMILY T MEMBER 1, PORE DOMAIN OF POTASSIUM CHANNEL SUBFAMILY T MEMBER 1, RCK2 ELABORATION OF POTASSIUM CHANNEL SUBFAMILY T MEMBER 1, ...
Authors:Hite, R.K, Yuan, P, Li, Z, Hsuing, Y, Walz, T, MacKinnon, R.
Deposit date:2015-06-25
Release date:2015-10-14
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Cryo-Electron Microscopy Structure of the Slo2.2 Na1-Activated K1 Channel
Nature, 527, 2015
6QF4
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BU of 6qf4 by Molmil
X-Ray structure of human Serine/Threonine Kinase 17B (STK17B) aka DRAK2 in complex with ADP obtained by on-chip soaking
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Lieske, J, Cerv, M, Kreida, S, Barthelmess, M, Fischer, P, Pakendorf, T, Yefanov, O, Mariani, V, Seine, T, Ross, B.H, Crosas, E, Lorbeer, O, Burkhardt, A, Lane, T.J, Guenther, S, Bergtholdt, J, Schoen, S, Tornroth-Horsefield, S, Chapman, H.N, Meents, A.
Deposit date:2019-01-09
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies.
Iucrj, 6, 2019
5E3H
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BU of 5e3h by Molmil
Structural Basis for RNA Recognition and Activation of RIG-I
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, GLYCEROL, ...
Authors:Jiang, F, Miller, M.T, Marcotrigiano, J.
Deposit date:2015-10-02
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of RNA recognition and activation by innate immune receptor RIG-I.
Nature, 479, 2011
4UMV
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BU of 4umv by Molmil
CRYSTAL STRUCTURE OF A ZINC-TRANSPORTING PIB-TYPE ATPASE IN THE E2P STATE
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ZINC-TRANSPORTING ATPASE
Authors:Wang, K.T, Sitsel, O, Meloni, G, Autzen, H.E, Andersson, M, Klymchuk, T, Nielsen, A.M, Rees, D.C, Nissen, P, Gourdon, P.
Deposit date:2014-05-21
Release date:2014-08-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure and Mechanism of Zn(2+)-Transporting P-Type Atpases.
Nature, 514, 2014
4ZTQ
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BU of 4ztq by Molmil
Human Aurora A catalytic domain bound to FK932
Descriptor: (2Z,5Z)-2-[(4-ethylphenyl)imino]-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one, (4S)-2-METHYL-2,4-PENTANEDIOL, Aurora kinase A
Authors:Marcaida, M.J, Kilchmann, F, Schick, T, Reymond, J.L.
Deposit date:2015-05-14
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.
J.Med.Chem., 59, 2016
1MOP
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BU of 1mop by Molmil
Crystal Structure of a Pantothenate Synthetase from M. tuberculosis
Descriptor: ETHANOL, GLYCEROL, SULFATE ION, ...
Authors:Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-09-09
Release date:2003-03-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of a Pantothenate Synthetase from M. tuberculosis and its Complexes with Substrates and a Reaction Intermediate
Protein Sci., 12, 2003
5UZ7
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BU of 5uz7 by Molmil
Volta phase plate cryo-electron microscopy structure of a calcitonin receptor-heterotrimeric Gs protein complex
Descriptor: Calcitonin receptor, 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:Liang, Y.L, Khoshouei, M, Radjainia, M, Zhang, Y, Glukhova, A, Tarrasch, J, Thal, D.M, Furness, S.G.B, Christopoulos, G, Coudrat, T, Danev, R, Baumeister, W, Miller, L.J, Christopoulos, A, Kobilka, B.K, Wootten, D, Skiniotis, G, Sexton, P.M.
Deposit date:2017-02-24
Release date:2017-05-03
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Phase-plate cryo-EM structure of a class B GPCR-G-protein complex.
Nature, 546, 2017

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