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9F9Z
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BU of 9f9z by Molmil
Gcase in complex with small molecule inhibitor 1
Descriptor: (2~{S})-1-(2,6-dimethylphenoxy)propan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ...
Authors:Tisi, D, Cleasby, A.
Deposit date:2024-05-09
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.279 Å)
Cite:Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 2024
9FDI
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BU of 9fdi by Molmil
Gcase in complex with small molecule inhibitor 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(phenylmethyl)piperidine, ...
Authors:Tisi, D, Cleasby, A.
Deposit date:2024-05-17
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 2024
8ZWI
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BU of 8zwi by Molmil
Chondroitin sulfate bound alpha-synuclein fibril
Descriptor: Alpha-synuclein
Authors:Tao, Y.Q, Liu, C, Li, D.
Deposit date:2024-06-13
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Chondroitin sulfate bound alpha-synuclein fibril
To Be Published
8RBO
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BU of 8rbo by Molmil
Cryo-EM structure of Pyrococcus furiosus apo form RNA polymerase contracted clamp conformation
Descriptor: DNA-directed RNA polymerase subunit Rpo10, DNA-directed RNA polymerase subunit Rpo11, DNA-directed RNA polymerase subunit Rpo12, ...
Authors:Tarau, D.M, Reichelt, R, Heiss, F.B, Pilsl, M, Hausner, W, Engel, C, Grohmann, D.
Deposit date:2023-12-04
Release date:2024-04-24
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite:Structural basis of archaeal RNA polymerase transcription elongation and Spt4/5 recruitment.
Nucleic Acids Res., 52, 2024
6QLF
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BU of 6qlf by Molmil
Structure of inner kinetochore CCAN complex with mask1
Descriptor: Inner kinetochore subunit AME1, Inner kinetochore subunit CHL4, Inner kinetochore subunit CTF19, ...
Authors:Yan, K, Yang, J, Zhang, Z, McLaughlin, S.H, Chang, L, Fasci, D, Heck, A.J.R, Barford, D.
Deposit date:2019-01-31
Release date:2019-10-02
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structure of the inner kinetochore CCAN complex assembled onto a centromeric nucleosome.
Nature, 574, 2019
9FQ2
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BU of 9fq2 by Molmil
Poliovirus 3C protease in H32 spacegroup
Descriptor: Protease 3C
Authors:Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L.
Deposit date:2024-06-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Poliovirus 3C protease in H32 spacegroup
To Be Published
8ZMW
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BU of 8zmw by Molmil
Structure of a triple-helix region of human Collagen type VII from Trautec
Descriptor: ACETATE ION, collagen type VII
Authors:Chu, Y, Zhai, Y, Fan, X, Fu, S, Li, J, Wu, X, Cai, H, Wang, X, Li, D, Feng, P, Cao, K, Qian, S.
Deposit date:2024-05-24
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of a triple-helix region of human Collagen type VII from Trautec
To Be Published
9ARD
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BU of 9ard by Molmil
Structure of Pycsar EcPycC cyclase immunoglobulin-like AGS-C domain
Descriptor: Cytidylate cyclase
Authors:Richmond-Buccola, D, Kranzusch, P.J.
Deposit date:2024-02-23
Release date:2024-06-19
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A large-scale type I CBASS antiphage screen identifies the phage prohead protease as a key determinant of immune activation and evasion.
Cell Host Microbe, 2024
8YVV
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BU of 8yvv by Molmil
The Crystal Structure of BTK from Biortus
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W.
Deposit date:2024-03-29
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Crystal Structure of BTK from Biortus.
To Be Published
8ZX6
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BU of 8zx6 by Molmil
Heparin bound Tau fibril PHF
Descriptor: Isoform Tau-F of Microtubule-associated protein tau
Authors:Tao, Y.Q, Liu, C, Li, D.
Deposit date:2024-06-13
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Heparin bound Tau fibril PHF
To Be Published
8Y0F
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BU of 8y0f by Molmil
Solution NMR structure of the PTK7-binding DNA aptamer sgc8c
Descriptor: DNA
Authors:He, A, Wan, L, Guo, P, Han, D.
Deposit date:2024-01-22
Release date:2024-06-26
Method:SOLUTION NMR
Cite:Structure-based investigation of a DNA aptamer targeting PTK7 reveals an intricate 3D fold guiding functional optimization
Proc.Natl.Acad.Sci.USA, 2024
8ZH5
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BU of 8zh5 by Molmil
The Crystal Structure of the ROCK1 from Biortus.
Descriptor: Rho-associated protein kinase 1
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Wang, J.
Deposit date:2024-05-10
Release date:2024-06-26
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:The Crystal Structure of the ROCK1 from Biortus.
To Be Published
8ZMO
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BU of 8zmo by Molmil
Structure of a triple-helix region of human Collagen type XVII from Trautec
Descriptor: collagen type XVII
Authors:Chu, Y, Zhai, Y, Fan, X, Fu, S, Li, J, Wu, X, Cai, H, Wang, X, Li, D, Feng, P, Cao, K, Qian, S.
Deposit date:2024-05-23
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure of a triple-helix region of human Collagen type XVII from Trautec
To Be Published
8RKG
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BU of 8rkg by Molmil
Crystal structure of tetrameric collagenase-cleaved Xenopus ZP2-N2N3 (cleaved xZP2-N2N3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BICINE, ...
Authors:Nishio, S, de Sanctis, D, Jovine, L.
Deposit date:2023-12-25
Release date:2024-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
4OUN
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BU of 4oun by Molmil
Crystal Structure of Mini-ribonuclease 3 from Bacillus subtilis
Descriptor: Mini-ribonuclease 3
Authors:Chojnowski, G, Czarnecka, J, Nowak, E, Pianka, D, Glow, D, Sabala, I, Skowronek, K, Nowotny, M, Bujnicki, J.M.
Deposit date:2014-02-18
Release date:2015-02-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Sequence-specific cleavage of dsRNA by Mini-III RNase
Nucleic Acids Res., 43, 2015
4F7B
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BU of 4f7b by Molmil
Structure of the lysosomal domain of limp-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Neculai, D, Ravichandran, M, Seitova, A, Neculai, M, Pizzaro, J.C, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, D, Structural Genomics Consortium (SGC)
Deposit date:2012-05-15
Release date:2013-10-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of LIMP-2 provides functional insights with implications for SR-BI and CD36.
Nature, 504, 2013
4OIT
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BU of 4oit by Molmil
Structure, interactions and evolutionary implications of a domain-swapped lectin dimer from Mycobacterium smegmatis
Descriptor: LysM domain protein, alpha-D-mannopyranose, beta-D-mannopyranose
Authors:Patra, D, Mishra, P, Surolia, A, Vijayan, M.
Deposit date:2014-01-20
Release date:2014-07-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure, interactions and evolutionary implications of a domain-swapped lectin dimer from Mycobacterium smegmatis.
Glycobiology, 24, 2014
4OIZ
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BU of 4oiz by Molmil
Structure, interactions and evolutionary implications of a domain-swapped lectin dimer from Mycobacterium smegmatis
Descriptor: LysM domain protein, methyl alpha-D-mannopyranoside
Authors:Patra, D, Mishra, P, Surolia, A, Vijayan, M.
Deposit date:2014-01-20
Release date:2014-07-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure, interactions and evolutionary implications of a domain-swapped lectin dimer from Mycobacterium smegmatis.
Glycobiology, 24, 2014
8RPO
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BU of 8rpo by Molmil
BFL1 in complex with a reversible covalent ligand
Descriptor: (~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]prop-2-enamide, Bcl-2-related protein A1
Authors:Hargreaves, D.
Deposit date:2024-01-16
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Identification and Evaluation of Reversible Covalent Binders to Cys55 of Bfl-1 from a DNA-Encoded Chemical Library Screen.
Acs Med.Chem.Lett., 15, 2024
4UN2
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BU of 4un2 by Molmil
Crystal structure of the UBA domain of Dsk2 in complex with Ubiquitin
Descriptor: UBIQUITIN, UBIQUITIN DOMAIN-CONTAINING PROTEIN DSK2
Authors:Michielssens, S, Peters, J.H, Ban, D, Pratihar, S, Seeliger, D, Sharma, M, Giller, K, Sabo, T.M, Becker, S, Lee, D, Griesinger, C, de Groot, B.L.
Deposit date:2014-05-23
Release date:2014-08-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:A Designed Conformational Shift to Control Protein Binding Specificity.
Angew.Chem.Int.Ed.Engl., 53, 2014
1MG3
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BU of 1mg3 by Molmil
MUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN
Descriptor: Amicyanin, COPPER (II) ION, CYTOCHROME C-L, ...
Authors:Sun, D, Chen, Z.W, Mathews, F.S, Davidson, V.L.
Deposit date:2002-08-14
Release date:2002-12-11
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:MUTATION OF ALPHA PHE55 OF METHYLAMINE DEHYDROGENASE ALTERS THE REORGANIZATION ENERGY AND ELECTRONIC COUPLING FOR ITS ELECTRON TRANSFER REACTION WITH AMICYANIN
Biochemistry, 41, 2002
1MK9
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BU of 1mk9 by Molmil
CRYSTAL STRUCTURE OF AN INTEGRIN BETA3-TALIN CHIMERA
Descriptor: Integrin Beta3, TALIN
Authors:Garcia-Alvarez, B, De Pereda, J.M, Calderwood, D.A, Ulmer, T.S, Critchley, D, Campbell, I.D, Ginsberg, M.H, Liddington, R.C.
Deposit date:2002-08-28
Release date:2003-01-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Determinants of Integrin Recognition by Talin
Mol.Cell, 11, 2003
1MIZ
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BU of 1miz by Molmil
Crystal structure of an integrin beta3-talin chimera
Descriptor: TALIN, integrin beta3
Authors:Garcia-Alvarez, B, de Pereda, J.M, Calderwood, D.A, Ulmer, T.S, Critchley, D, Campbell, I.D, Ginsberg, M.H, Liddington, R.C.
Deposit date:2002-08-23
Release date:2003-01-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural determinants of integrin recognition by talin
Mol.Cell, 11, 2003
1M1Q
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BU of 1m1q by Molmil
P222 oxidized structure of the tetraheme cytochrome c from Shewanella oneidensis MR1
Descriptor: HEME C, SULFATE ION, small tetraheme cytochrome c
Authors:Leys, D, Meyer, T.E, Tsapin, A.I, Nealson, K.H, Cusanovich, M.A, Van Beeumen, J.J.
Deposit date:2002-06-20
Release date:2002-08-14
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Crystal structures at atomic resolution reveal the novel concept of 'electron-harvesting' as a role for the small tetraheme cytochrome c
J.Biol.Chem., 277, 2002
1M8A
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BU of 1m8a by Molmil
Human MIP-3alpha/CCL20
Descriptor: ISOPROPYL ALCOHOL, Small inducible cytokine A20
Authors:Hoover, D.M, Boulegue, C, Yang, D, Oppenheim, J.J, Tucker, K, Lu, W, Lubkowski, J.
Deposit date:2002-07-24
Release date:2002-07-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of human macrophage inflammatory protein-3alpha /CCL20. Linking antimicrobial and CC chemokine receptor-6-binding activities with human beta-defensins
J.Biol.Chem., 277, 2002

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