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2A4D
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BU of 2a4d by Molmil
Structure of the human ubiquitin-conjugating enzyme E2 variant 1 (UEV-1)
Descriptor: Ubiquitin-conjugating enzyme E2 variant 1
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2005-06-28
Release date:2005-07-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
4I0E
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BU of 4i0e by Molmil
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
Descriptor: 3-[2-bromo-4-(1H-pyrazol-4-yl)thiophen-3-yl]-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine, Beta-secretase 1, ZINC ION
Authors:Yao, N, Brecht, E.
Deposit date:2012-11-16
Release date:2013-03-06
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I0F
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BU of 4i0f by Molmil
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
Descriptor: Beta-secretase 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine, ZINC ION
Authors:Yao, N, Brecht, E.
Deposit date:2012-11-16
Release date:2013-03-06
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I0D
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BU of 4i0d by Molmil
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
Descriptor: Beta-secretase 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-(4-propylthiophen-3-yl)-L-alanine, ZINC ION
Authors:Yao, N, Brecht, E.
Deposit date:2012-11-16
Release date:2013-10-09
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
6Y6Z
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BU of 6y6z by Molmil
Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 1
Descriptor: GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, ~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate
Authors:Newman, H, Bellini, D, Dowson, C.G.
Deposit date:2020-02-27
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion.
Chem Sci, 11, 2020
6Y6U
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BU of 6y6u by Molmil
Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 6
Descriptor: 2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI
Authors:Newman, H, Bellini, D, Dowson, C.G.
Deposit date:2020-02-27
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
Chem Sci, 11, 2020
6MFQ
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BU of 6mfq by Molmil
Crystal structure of a PMS2 variant
Descriptor: Mismatch repair endonuclease PMS2
Authors:D'Arcy, B.M, Prakash, A.
Deposit date:2018-09-11
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Biochemical and structural characterization of two variants of uncertain significance in the PMS2 gene.
Hum. Mutat., 40, 2019
4Q11
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BU of 4q11 by Molmil
Crystal structure of Proteus mirabilis transcriptional regulator protein Crl at 1.95A resolution
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Sigma factor-binding protein Crl
Authors:Norel, F, Mayer, C, Saul, F.A, Haouz, A.
Deposit date:2014-04-02
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and functional features of Crl proteins and identification of conserved surface residues required for interaction with the RpoS/ sigma S subunit of RNA polymerase.
Biochem.J., 463, 2014
3FRR
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BU of 3frr by Molmil
Structure of human IST1(NTD) - (residues 1-189)(P21)
Descriptor: Uncharacterized protein KIAA0174
Authors:Schubert, H.L, Hill, C.P, Bajorek, M, Sundquist, W.I.
Deposit date:2009-01-08
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for ESCRT-III protein autoinhibition.
Nat.Struct.Mol.Biol., 16, 2009
2OB4
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BU of 2ob4 by Molmil
Human Ubiquitin-Conjugating Enzyme CDC34
Descriptor: Ubiquitin-conjugating enzyme E2-32 kDa complementing
Authors:Neculai, D, Avvakumov, G.V, Xue, S, Walker, J.R, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Sicheri, F, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2006-12-18
Release date:2006-12-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
2QGX
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BU of 2qgx by Molmil
Ubiquitin-conjugating enzyme E2Q
Descriptor: Ubiquitin-conjugating enzyme E2 Q1
Authors:Neculai, D, Avvakumov, G.V, Xue, S, Walker, J.R, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Sicheri, F, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2007-06-29
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
2Z5D
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BU of 2z5d by Molmil
Human ubiquitin-conjugating enzyme E2 H
Descriptor: SODIUM ION, Ubiquitin-conjugating enzyme E2 H
Authors:Bochkarev, A, Cui, H, Walker, J.R, Newman, E.M, Mackenzie, F, Battaile, K.P, Sundstrom, M, Arrowsmith, C, Edwards, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2007-07-06
Release date:2007-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
MOL.CELL PROTEOMICS, 11, 2012
6TZ9
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BU of 6tz9 by Molmil
CryoEM reconstruction of membrane-bound ESCRT-III filament composed of CHMP1B only
Descriptor: Charged multivesicular body protein 1b
Authors:Nguyen, H.C, Frost, A.
Deposit date:2019-08-11
Release date:2020-04-08
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Membrane constriction and thinning by sequential ESCRT-III polymerization.
Nat.Struct.Mol.Biol., 27, 2020
6TZ4
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BU of 6tz4 by Molmil
CryoEM reconstruction of membrane-bound ESCRT-III filament composed of CHMP1B+IST1 (right-handed)
Descriptor: Charged multivesicular body protein 1b, IST1 homolog
Authors:Nguyen, H.C, Frost, A.
Deposit date:2019-08-10
Release date:2020-04-08
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Membrane constriction and thinning by sequential ESCRT-III polymerization.
Nat.Struct.Mol.Biol., 27, 2020
6TZA
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BU of 6tza by Molmil
CryoEM reconstruction of ESCRT-III filament composed of IST1 NTD R16E K27E double mutant
Descriptor: IST1 homolog
Authors:Nguyen, H.C, Frost, A.
Deposit date:2019-08-11
Release date:2020-04-08
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.2 Å)
Cite:Membrane constriction and thinning by sequential ESCRT-III polymerization.
Nat.Struct.Mol.Biol., 27, 2020
6TZ5
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BU of 6tz5 by Molmil
CryoEM reconstruction of membrane-bound ESCRT-III filament composed of CHMP1B+IST1 (left-handed)
Descriptor: Charged multivesicular body protein 1b, IST1 homolog
Authors:Nguyen, H.C, Frost, A.
Deposit date:2019-08-10
Release date:2020-04-08
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Membrane constriction and thinning by sequential ESCRT-III polymerization.
Nat.Struct.Mol.Biol., 27, 2020
2V7S
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BU of 2v7s by Molmil
Crystal structure of the putative lipoprotein LppA from Mycobacterium tuberculosis
Descriptor: GLYCEROL, PROBABLE CONSERVED LIPOPROTEIN LPPA
Authors:Grana, M, Miras, I, Haouz, A, Winter, N, Buschiazzo, A, Bellinzoni, M, Alzari, P.M.
Deposit date:2007-08-01
Release date:2008-08-26
Last modified:2011-09-28
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structure of Mycobacterium Tuberculosis Lppa, a Lipoprotein Confined to Pathogenic Mycobacteria.
Proteins, 78, 2010
1ZDN
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BU of 1zdn by Molmil
Ubiquitin-conjugating enzyme E2S
Descriptor: SODIUM ION, Ubiquitin-conjugating enzyme E2S
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2005-04-14
Release date:2005-05-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
1YH2
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BU of 1yh2 by Molmil
Ubiquitin-Conjugating Enzyme HSPC150
Descriptor: HSPC150 protein similar to ubiquitin-conjugating enzyme
Authors:Walker, J.R, Avvakumov, G.V, Newman, E.M, Mackenzie, F, Kozieradzki, I, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2005-01-06
Release date:2005-02-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
1ZUO
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BU of 1zuo by Molmil
Structure of Human Ubiquitin-Conjugating Enzyme (UBCi) Involved in Embryo Attachment and Implantation
Descriptor: BETA-MERCAPTOETHANOL, Hypothetical protein LOC92912
Authors:Walker, J.R, Avvakumov, G.V, Cui, H, Newman, E.M, Mackenzie, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2005-05-31
Release date:2005-07-05
Last modified:2012-11-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
1Y6L
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BU of 1y6l by Molmil
Human ubiquitin conjugating enzyme E2E2
Descriptor: Ubiquitin-conjugating enzyme E2E2
Authors:Walker, J.R, Avvakumov, G.V, Newman, E.M, Mackenzie, F, Kozieradzki, I, Bochkarev, A, Sundstrom, M, Arrowsmith, C, Edwards, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2004-12-06
Release date:2005-01-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
7B39
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BU of 7b39 by Molmil
Allene-Based Design of a Noncalcemic Vitamin D Receptor Agonist
Descriptor: (1R,3S,Z)-5-(2-((3aS,7aS,E)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 1, ...
Authors:Rochel, N.
Deposit date:2020-11-29
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Design, Synthesis, Evaluation and Structure of Allenic 1 alpha ,25-Dihydroxyvitamin D 3 Analogs with Locked Mobility at C-17.
Chemistry, 27, 2021
6FFS
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BU of 6ffs by Molmil
Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors
Descriptor: 3C Protease, SULFATE ION, ~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
Authors:Wiesmann, C, Farady, C.
Deposit date:2018-01-09
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6FFN
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BU of 6ffn by Molmil
Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors
Descriptor: 3C protease, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Wiesmann, C, Farady, C.
Deposit date:2018-01-08
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
4A6D
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BU of 4a6d by Molmil
Crystal structure of human N-acetylserotonin methyltransferase (ASMT) in complex with SAM
Descriptor: GLYCEROL, HYDROXYINDOLE O-METHYLTRANSFERASE, S-ADENOSYLMETHIONINE, ...
Authors:Legrand, P, Haouz, A, Shepard, W.
Deposit date:2011-11-01
Release date:2012-11-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure and Functional Mapping of Human Asmt, the Last Enzyme of the Melatonin Synthesis Pathway.
J.Pineal Res., 54, 2013

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