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6HK9
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BU of 6hk9 by Molmil
Crystal structure of TEX12 F102A F109E V116A
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, CALCIUM ION, ...
Authors:Dunce, J.M, Salmon, L.J, Davies, O.R.
Deposit date:2018-09-06
Release date:2019-09-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:Synaptonemal complex central element extension through hierarchical assembly of SYCE2-TEX12 into alpha-fibres
To Be Published
2BNU
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BU of 2bnu by Molmil
Structural and kinetic basis for heightened immunogenicity of T cell vaccines
Descriptor: T-CELL RECEPTOR ALPHA CHAIN C REGION, T-CELL RECEPTOR BETA CHAIN C REGION
Authors:Chen, J.-L, Stewart-Jones, G, Bossi, G, Lissin, N.M, Wooldridge, L, Choi, E.M.L, Held, G, Dunbar, P.R, Esnouf, R.M, Sami, M, Boultier, J.M, Rizkallah, P.J, Renner, C, Sewell, A, Van Der Merwe, P.A, Jackobsen, B.K, Griffiths, G, Jones, E.Y, Cerundolo, V.
Deposit date:2005-04-04
Release date:2005-05-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and Kinetic Basis for Heightened Immunogenicity of T Cell Vaccines.
J.Exp.Med., 201, 2005
6HDR
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BU of 6hdr by Molmil
Human DYRK2 bound to Curcumin
Descriptor: DITHIANE DIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, PHOSPHATE ION, ...
Authors:Elkins, J.M, Soundararajan, M, Vollmar, M, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S.
Deposit date:2018-08-18
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:DYRK2 bound to Curcumin
To Be Published
5DOC
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BU of 5doc by Molmil
Crystal structure of the Human Cytomegalovirus UL53 subunit of the NEC
Descriptor: GLYCEROL, Virion egress protein UL31 homolog, ZINC ION
Authors:Lye, M.F, El Omari, K, Filman, D.J, Hogle, J.M.
Deposit date:2015-09-11
Release date:2015-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Unexpected features and mechanism of heterodimer formation of a herpesvirus nuclear egress complex.
Embo J., 34, 2015
5D98
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BU of 5d98 by Molmil
Influenza C Virus RNA-dependent RNA Polymerase - Space group P43212
Descriptor: MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Hengrung, N, El Omari, K, Serna Martin, I, Vreede, F.T, Cusack, S, Rambo, R.P, Vonrhein, C, Bricogne, G, Stuart, D.I, Grimes, J.M, Fodor, E.
Deposit date:2015-08-18
Release date:2015-10-21
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Crystal structure of the RNA-dependent RNA polymerase from influenza C virus.
Nature, 527, 2015
1RIN
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BU of 1rin by Molmil
X-RAY CRYSTAL STRUCTURE OF A PEA LECTIN-TRIMANNOSIDE COMPLEX AT 2.6 ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, MANGANESE (II) ION, PEA LECTIN, ...
Authors:Rini, J.M, Hardman, K.D, Einspahr, H, Suddath, F.L, Carver, J.P.
Deposit date:1993-01-27
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-ray crystal structure of a pea lectin-trimannoside complex at 2.6 A resolution.
J.Biol.Chem., 268, 1993
5CWA
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BU of 5cwa by Molmil
Structure of Anthranilate Synthase Component I (TrpE) from Mycobacterium tuberculosis with inhibitor bound
Descriptor: 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, Anthranilate synthase component 1, GLYCEROL, ...
Authors:Johnston, J.M, Bashiri, G, Evans, G.L, Lott, J.S, Baker, E.N.
Deposit date:2015-07-28
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and inhibition of subunit I of the anthranilate synthase complex of Mycobacterium tuberculosis and expression of the active complex.
Acta Crystallogr.,Sect.D, 71, 2015
6HUM
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BU of 6hum by Molmil
Structure of the photosynthetic complex I from Thermosynechococcus elongatus
Descriptor: 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, IRON/SULFUR CLUSTER, ...
Authors:Schuller, J.M, Schuller, S.K, Kurisu, G, Engel, B.D, Nowaczyk, M.M.
Deposit date:2018-10-09
Release date:2019-01-09
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structural adaptations of photosynthetic complex I enable ferredoxin-dependent electron transfer.
Science, 363, 2019
6HVD
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BU of 6hvd by Molmil
Human SLK bound to a maleimide inhibitor
Descriptor: 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione, STE20-like serine/threonine-protein kinase, ...
Authors:Sorrell, F.J, Berger, B.T, Salah, E, Serafim, R.A.M, Savitsky, P.A, Krojer, T, Bailey, H.J, Pinkas, D, Burgess-Brown, N.A, von Delft, F, Knapp, S, Arrowsmith, C, Bountra, C, Edwards, A.M, Elkins, J.M.
Deposit date:2018-10-10
Release date:2018-10-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Human SLK bound to a maleimide inhibitor
To Be Published
6FZQ
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BU of 6fzq by Molmil
Crystal structure of scFv-SM3 in complex with compound 3
Descriptor: 1,2-ETHANEDIOL, 2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactopyranose, Mucin-1, ...
Authors:Bermejo, I.A, Usabiaga, I, Companon, I, Castro-Lopez, J, Insausti, A, Fernandez, J.A, Avenoza, A, Busto, J.H, Jimenez-Barbero, J, Asensio, J.L, Jimenez-Oses, G, Peregrina, J.M, Hurtado-Guerrero, R, Cocinero, E.J, Corzana, F.
Deposit date:2018-03-15
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition.
J.Am.Chem.Soc., 140, 2018
6G6S
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BU of 6g6s by Molmil
Crystal structure of human Acinus RNA recognition motif domain
Descriptor: Apoptotic chromatin condensation inducer in the nucleus
Authors:Fernandes, H, Czapinska, H, Grudziaz, K, Bujnicki, J.M, Nowacka, M.
Deposit date:2018-04-03
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of human Acinus RNA recognition motif domain.
PeerJ, 6, 2018
5DBT
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BU of 5dbt by Molmil
Crystal structure of C-terminal truncated 2-deoxyribose-5-phosphate aldolase (1-201) from Streptococcus suis
Descriptor: Deoxyribose-phosphate aldolase
Authors:Cao, T.-P, Choi, J.M, Lee, S.H.
Deposit date:2015-08-22
Release date:2016-04-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.811 Å)
Cite:Structural insight for substrate tolerance to 2-deoxyribose-5-phosphate aldolase from the pathogen Streptococcus suis
J. Microbiol., 54, 2016
6FVT
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BU of 6fvt by Molmil
26S proteasome, s1 state
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ...
Authors:Eisele, M.R, Reed, R.G, Rudack, T, Schweitzer, A, Beck, F, Nagy, I, Pfeifer, G, Plitzko, J.M, Baumeister, W, Tomko, R.J, Sakata, E.
Deposit date:2018-03-05
Release date:2018-08-22
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Expanded Coverage of the 26S Proteasome Conformational Landscape Reveals Mechanisms of Peptidase Gating.
Cell Rep, 24, 2018
6FZR
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BU of 6fzr by Molmil
Crystal structure of scFv-SM3 in complex with compound 2
Descriptor: 1,2-ETHANEDIOL, 2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactopyranose, Mucin-1, ...
Authors:Bermejo, I.A, Usabiaga, I, Companon, I, Castro-Lopez, J, Insausti, A, Fernandez, J.A, Avenoza, A, Busto, J.H, Jimenez-Barbero, J, Asensio, J.L, Jimenez-Oses, G, Peregrina, J.M, Hurtado-Guerrero, R, Cocinero, E.J, Corzana, F.
Deposit date:2018-03-15
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition.
J.Am.Chem.Soc., 140, 2018
2H73
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BU of 2h73 by Molmil
Crystal Structure of Thioredoxin Mutant D43E in Hexagonal (p61) Space Group
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin
Authors:Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
Deposit date:2006-06-01
Release date:2007-05-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of Thioredoxin Mutant D43E in Hexagonal (p61) Space Group
To be Published
6IC4
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BU of 6ic4 by Molmil
Cryo-EM structure of the A. baumannii MLA complex at 8.7 A resolution
Descriptor: ABC transporter ATP-binding protein, ABC transporter permease, Toluene tolerance efflux transporter (ABC superfamily, ...
Authors:Bergeron, J.R, Kollman, J.M.
Deposit date:2018-12-02
Release date:2019-01-23
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8.7 Å)
Cite:The Acinetobacter baumannii Mla system and glycerophospholipid transport to the outer membrane.
Elife, 8, 2019
5EIQ
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BU of 5eiq by Molmil
Human OSCAR ligand-binding domain
Descriptor: Osteoclast-associated immunoglobulin-like receptor
Authors:Hinerman, J.M, Conrady, D.G, Herr, A.B.
Deposit date:2015-10-30
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural basis for collagen recognition by the immune receptor OSCAR.
Blood, 127, 2016
6I2D
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BU of 6i2d by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and RKp117
Descriptor: UPF0418 protein FAM164A, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2018-11-01
Release date:2019-05-15
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
2BDZ
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BU of 2bdz by Molmil
Mexicain from Jacaratia mexicana
Descriptor: Mexicain, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
Authors:Gavira, J.A, Oliver-Salvador, M.C, Gonzalez-Ramirez, L.A, Soriano-Garcia, M, Garcia-Ruiz, J.M.
Deposit date:2005-10-21
Release date:2006-10-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic structure of Mexicain from Jacaratia mexicana
To be Published
6FRJ
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BU of 6frj by Molmil
Crystal structure of scFv-SM3 in complex with APD-SeThrGalNAc-RP
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, APD-SeThr-RP, ...
Authors:Companon, I, Castro-Lopez, J, Escudero-Casao, M, Avenoza, A, Busto, J.H, Castillon, S, Jimenez-Barbero, J, Bernardes, G.J, Boutureira, O, Jimenez-Oses, G, Asensio, J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F.
Deposit date:2018-02-16
Release date:2019-02-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Design of Potent Tumor-Associated Antigens: Modulation of Peptide Presentation by Single-Atom O/S or O/Se Substitutions at the Glycosidic Linkage.
J. Am. Chem. Soc., 141, 2019
6FVX
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BU of 6fvx by Molmil
26S proteasome, s5 state
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ...
Authors:Eisele, M.R, Reed, R.G, Rudack, T, Schweitzer, A, Beck, F, Nagy, I, Pfeifer, G, Plitzko, J.M, Baumeister, W, Tomko, R.J, Sakata, E.
Deposit date:2018-03-05
Release date:2018-08-22
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Expanded Coverage of the 26S Proteasome Conformational Landscape Reveals Mechanisms of Peptidase Gating.
Cell Rep, 24, 2018
6FT6
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BU of 6ft6 by Molmil
Structure of the Nop53 pre-60S particle bound to the exosome nuclear cofactors
Descriptor: 25S ribosomal RNA, 5S ribosomal RNA, 60S ribosomal protein L11-A, ...
Authors:Schuller, J.M, Falk, S, Conti, E.
Deposit date:2018-02-20
Release date:2018-03-28
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure of the nuclear exosome captured on a maturing preribosome.
Science, 360, 2018
6I85
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BU of 6i85 by Molmil
Influenza A nucleoprotein docked into the 3D helical structure of the wild type ribonucleoprotein complex obtained using cryoEM. Conformation 5.
Descriptor: Influenza A nucleoprotein, Nucleoprotein
Authors:Coloma, R, Arranz, R, de la Rosa-Trevin, J.M, Sorzano, C.O.S, Carlero, D, Ortin, J, Martin-Benito, J.
Deposit date:2018-11-19
Release date:2020-01-29
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (24 Å)
Cite:Structural insights into influenza A virus ribonucleoproteins reveal a processive helical track as transcription mechanism.
Nat Microbiol, 5, 2020
5ES8
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BU of 5es8 by Molmil
Crystal structure of the initiation module of LgrA in the thiolation state
Descriptor: Linear gramicidin synthetase subunit A, [(3~{R})-4-[[3-[2-[[(2~{S})-2-azanyl-3-methyl-butanoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
Authors:Reimer, J.M, Aloise, M.N, Schmeing, T.M.
Deposit date:2015-11-16
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.547 Å)
Cite:Synthetic cycle of the initiation module of a formylating nonribosomal peptide synthetase.
Nature, 529, 2016
6I2B
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BU of 6i2b by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp153 and RKp117
Descriptor: UPF0418 protein FAM164A, [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, beta-D-ribopyranose, ...
Authors:Mueller, J.M, Heine, A, Klebe, G.
Deposit date:2018-11-01
Release date:2019-05-15
Last modified:2021-03-17
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019

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