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4TQC
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BU of 4tqc by Molmil
The co-complex structure of the translation initiation factor eIF4E with the inhibitor 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G
Descriptor: (2S)-3-(4-amino-3-nitrophenyl)-2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinyl}propanoic acid, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Eukaryotic translation initiation factor 4E
Authors:Papadopoulos, E, Jenni, S, Wagner, G.
Deposit date:2014-06-10
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the eukaryotic translation initiation factor eIF4E in complex with 4EGI-1 reveals an allosteric mechanism for dissociating eIF4G.
Proc.Natl.Acad.Sci.USA, 111, 2014
5NLT
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BU of 5nlt by Molmil
CvAA9A
Descriptor: COPPER (II) ION, CvAA9A, SULFATE ION
Authors:Frandsen, K.E.H, Poulsen, J.-C.N, Tandrup, T, Schnorr, K, Tovborg, M, Lo Leggio, L.
Deposit date:2017-04-04
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and electronic determinants of lytic polysaccharide monooxygenase reactivity on polysaccharide substrates.
Nat Commun, 8, 2017
8PDI
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BU of 8pdi by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z1763271112
Descriptor: (5-phenyl-1,3,4-thiadiazol-2-yl)methanimine, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
Deposit date:2023-06-12
Release date:2023-07-26
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
1HGE
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BU of 1hge by Molmil
BINDING OF INFLUENZA VIRUS HEMAGGLUTININ TO ANALOGS OF ITS CELL-SURFACE RECEPTOR, SIALIC ACID: ANALYSIS BY PROTON NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND X-RAY CRYSTALLOGRAPHY
Descriptor: 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, ...
Authors:Sauter, N.K, Hanson, J.E, Glick, G.D, Brown, J.H, Crowther, R.L, Park, S.-J, Skehel, J.J, Wiley, D.C.
Deposit date:1991-11-01
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding of influenza virus hemagglutinin to analogs of its cell-surface receptor, sialic acid: analysis by proton nuclear magnetic resonance spectroscopy and X-ray crystallography.
Biochemistry, 31, 1992
6QS1
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BU of 6qs1 by Molmil
Crystal structure of human Angiotensin-1 converting enzyme N-domain in complex with BPPb
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2019-02-20
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the C-domain-selective angiotensin-converting enzyme inhibition by bradykinin-potentiating peptide b (BPPb).
Biochem.J., 476, 2019
7R5K
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BU of 7r5k by Molmil
Human nuclear pore complex (constricted)
Descriptor: Aladin, E3 SUMO-protein ligase RanBP2, Nuclear pore complex protein Nup107, ...
Authors:Mosalaganti, S, Obarska-Kosinska, A, Siggel, M, Taniguchi, R, Turonova, B, Zimmerli, C.E, Buczak, K, Schmidt, F.H, Margiotta, E, Mackmull, M.T, Hagen, W.J.H, Hummer, G, Kosinski, J, Beck, M.
Deposit date:2022-02-10
Release date:2022-06-22
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (12 Å)
Cite:AI-based structure prediction empowers integrative structural analysis of human nuclear pores.
Science, 376, 2022
5LRX
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BU of 5lrx by Molmil
Structure of A20 OTU domain bound to ubiquitin
Descriptor: Polyubiquitin-B, Tumor necrosis factor alpha-induced protein 3
Authors:Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D.
Deposit date:2016-08-22
Release date:2016-10-19
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne.
Nature, 538, 2016
6QN0
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BU of 6qn0 by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide
Descriptor: Carbonic anhydrase 12, ZINC ION, ~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
Authors:Dvinskis, E, Leitans, J, Tars, K.
Deposit date:2019-02-08
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6O1J
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BU of 6o1j by Molmil
Alpha-L-fucosidase AlfC fucosyltransferase mutant N243A
Descriptor: AlfC, beta-L-fucopyranose
Authors:Klontz, E.H, Sundberg, E.J.
Deposit date:2019-02-20
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and dynamics of an alpha-fucosidase reveal a mechanism for highly efficient IgG transfucosylation.
Nat Commun, 11, 2020
6YHK
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BU of 6yhk by Molmil
Crystal structure of full-length CNFy (C866S) from Yersinia pseudotuberculosis
Descriptor: CHLORIDE ION, Cytotoxic necrotizing factor, SULFATE ION
Authors:Lukat, P, Gazdag, E.M, Heidler, T.V, Blankenfeldt, W.
Deposit date:2020-03-30
Release date:2020-12-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication.
Embo J., 40, 2021
7R5J
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BU of 7r5j by Molmil
Human nuclear pore complex (dilated)
Descriptor: Aladin, E3 SUMO-protein ligase RanBP2, Nuclear pore complex protein Nup107, ...
Authors:Mosalaganti, S, Obarska-Kosinska, A, Siggel, M, Taniguchi, R, Turonova, B, Zimmerli, C.E, Buczak, K, Schmidt, F.H, Margiotta, E, Mackmull, M.T, Hagen, W.J.H, Hummer, G, Kosinski, J, Beck, M.
Deposit date:2022-02-10
Release date:2022-09-21
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (50 Å)
Cite:AI-based structure prediction empowers integrative structural analysis of human nuclear pores
Science, 376, 2022
1H25
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BU of 1h25 by Molmil
CDK2/Cyclin A in complex with an 11-residue recruitment peptide from retinoblastoma-associated protein
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, RETINOBLASTOMA-ASSOCIATED PROTEIN
Authors:Tews, I, Cheng, K.Y, Lowe, E.D, Noble, M.E.M, Brown, N.R, Gul, S, Gamblin, S, Johnson, L.N.
Deposit date:2002-07-31
Release date:2003-02-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Specificity Determinants of Recruitment Peptides Bound to Phospho-Cdk2/Cyclin A
Biochemistry, 41, 2002
8FQC
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BU of 8fqc by Molmil
Structure of baseplate with receptor binding complex of Agrobacterium phage Milano
Descriptor: Baseplate Centerpiece, gp25, Baseplate Central Spike, ...
Authors:Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H.
Deposit date:2023-01-05
Release date:2024-01-31
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano.
Nat Commun, 15, 2024
4TNH
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BU of 4tnh by Molmil
RT XFEL structure of Photosystem II in the dark state at 4.9 A resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
Deposit date:2014-06-04
Release date:2014-07-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.900007 Å)
Cite:Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
7UUW
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BU of 7uuw by Molmil
Cryogenic electron microscopy 3D map of F-actin bound by the Actin Binding Domain of alpha-catenin ortholog, HMP1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Rangarajan, E.S, Smith, E.W, Izard, T.
Deposit date:2022-04-29
Release date:2023-01-18
Last modified:2023-01-25
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:The nematode alpha-catenin ortholog, HMP1, has an extended alpha-helix when bound to actin filaments.
J.Biol.Chem., 299, 2022
6SSS
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BU of 6sss by Molmil
Crystal structure of Human Microsomal Glutathione S-Transferase 2
Descriptor: 1-(8Z-hexadecenoyl)-sn-glycerol, GLYCEROL, Microsomal glutathione S-transferase 2, ...
Authors:Thulasingam, M, Nji, E, Haeggstrom, J.Z.
Deposit date:2019-09-09
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Crystal structures of human MGST2 reveal synchronized conformational changes regulating catalysis.
Nat Commun, 12, 2021
6ZPU
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BU of 6zpu by Molmil
Crystal structure of Angiotensin-1 converting enzyme C-domain with inserted symmetry molecule C-terminus.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Cozier, G.E, Acharya, K.R.
Deposit date:2020-07-09
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Angiotensin-converting enzyme open for business: structural insights into the subdomain dynamics.
Febs J., 288, 2021
1GR3
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BU of 1gr3 by Molmil
Structure of the human collagen X NC1 trimer
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CALCIUM ION, COLLAGEN X, ...
Authors:Bogin, O, Kvansakul, M, Rom, E, Singer, J, Yayon, A, Hohenester, E.
Deposit date:2001-12-12
Release date:2002-02-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insight Into Schmid Metaphyseal Chondrodysplasia from the Crystal Structure of the Collagen X Nc1 Domain Trimer.
Structure, 10, 2002
6ZZ6
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BU of 6zz6 by Molmil
Cryo-EM structure of S.cerevisiae cohesin-Scc2-DNA complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (34-MER), MAGNESIUM ION, ...
Authors:Lee, B.-G, Gonzalez Llamazares, A, Collier, J, Nasmyth, K.A, Lowe, J.
Deposit date:2020-08-04
Release date:2020-09-30
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Transport of DNA within cohesin involves clamping on top of engaged heads by Scc2 and entrapment within the ring by Scc3.
Elife, 9, 2020
8FS5
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BU of 8fs5 by Molmil
Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 10-nt gapped DNA in step 3 (open 9-1-1 and stably bound chamber DNA)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ...
Authors:Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H.
Deposit date:2023-01-09
Release date:2023-06-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology.
Biorxiv, 2023
6QXE
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BU of 6qxe by Molmil
Influenza A virus (A/NT/60/1968) polymerase dimer of hetermotrimer in complex with 3'5' cRNA promoter and Nb8205
Descriptor: Nb8205, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Carrique, L, Keown, J.R, Fan, H, Fodor, E, Grimes, J.M.
Deposit date:2019-03-07
Release date:2019-09-04
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (4.15 Å)
Cite:Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
8FS4
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BU of 8fs4 by Molmil
Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 10-nt gapped DNA in step 2 (open 9-1-1 ring and flexibly bound chamber DNA)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ...
Authors:Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H.
Deposit date:2023-01-09
Release date:2023-06-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology.
Biorxiv, 2023
8PDJ
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BU of 8pdj by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z56948267
Descriptor: 4-azanyl-3-fluoranyl-benzenethiol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
Deposit date:2023-06-12
Release date:2023-06-28
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
8FS3
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BU of 8fs3 by Molmil
Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 10-nt gapped DNA in step 1 (open 9-1-1 and shoulder bound DNA only)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ...
Authors:Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H.
Deposit date:2023-01-09
Release date:2023-06-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology.
Biorxiv, 2023
8FQO
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BU of 8fqo by Molmil
ADC-33 in complex with boronic acid transition state inhibitor MB076
Descriptor: 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R.
Deposit date:2023-01-06
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023

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