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8CPZ
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BU of 8cpz by Molmil
Photorhabdus luminescens TcdA1 prepore-to-pore intermediate, K1179W mutant
Descriptor: TcdA1
Authors:Nganga, P.N, Roderer, D, Belyy, A, Prumbaum, D, Raunser, S.
Deposit date:2023-03-03
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Kinetics of the syringe-like injection mechanism of Tc toxins
to be published
8CQ2
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BU of 8cq2 by Molmil
Photorhabdus luminescens TcdA1 prepore-to-pore intermediate, C16S, C20S, C870S, T1279C mutant
Descriptor: TcdA1
Authors:Nganga, P.N, Roderer, D, Belyy, A, Prumbaum, D, Raunser, S.
Deposit date:2023-03-03
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Kinetics of the syringe-like injection mechanism of Tc toxins
to be published
8CQ0
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BU of 8cq0 by Molmil
Photorhabdus luminescens TcdA1 prepore-to-pore intermediate, K567W K2008W mutant
Descriptor: TcdA1
Authors:Nganga, P.N, Roderer, D, Belyy, A, Prumbaum, D, Raunser, S.
Deposit date:2023-03-03
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Kinetics of the syringe-like injection mechanism of Tc toxins
to be published
9GPB
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BU of 9gpb by Molmil
THE ALLOSTERIC TRANSITION OF GLYCOGEN PHOSPHORYLASE
Descriptor: GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Barford, D, Johnson, L.N.
Deposit date:1990-12-17
Release date:1992-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The allosteric transition of glycogen phosphorylase.
Nature, 340, 1989
8QPR
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BU of 8qpr by Molmil
SARS-CoV-2 S protein bound to human neutralising antibody UZGENT_G5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IgG heavy chain - FAB, ...
Authors:Remaut, H, Reiter, D, Vandenkerckhove, L, Acar, D.D, Witkowski, W, Gerlo, S.
Deposit date:2023-10-03
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Integrating artificial intelligence-based epitope prediction in a SARS-CoV-2 antibody discovery pipeline: caution is warranted.
Ebiomedicine, 100, 2024
8QQ0
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BU of 8qq0 by Molmil
SARS-CoV-2 S protein bound to neutralising antibody UZGENT_A3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Remaut, H, Reiter, D, Vandenkerckhove, L, Acar, D.D, Witkowski, W, Gerlo, S.
Deposit date:2023-10-03
Release date:2024-01-31
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Integrating artificial intelligence-based epitope prediction in a SARS-CoV-2 antibody discovery pipeline: caution is warranted.
Ebiomedicine, 100, 2024
5IA2
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BU of 5ia2 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with compound 66
Descriptor: 1,2-ETHANEDIOL, 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
Deposit date:2016-02-21
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.619 Å)
Cite:Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
6AR9
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BU of 6ar9 by Molmil
Crystal structure of hypoxanthine-guanine-xanthine phosphorybosyltranferase in complex with [(2-{[2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)ethyl][(E)-2-phosphonoethenyl]amino}ethoxy)methyl]phosphonic acid
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, putative, MAGNESIUM ION, ...
Authors:Teran, D, Gudday, L.W.
Deposit date:2017-08-21
Release date:2018-03-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
PLoS Negl Trop Dis, 12, 2018
1AB2
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BU of 1ab2 by Molmil
THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE SRC HOMOLOGY 2 DOMAIN OF C-ABL
Descriptor: C-ABL TYROSINE KINASE SH2 DOMAIN
Authors:Overduin, M, Rios, C.B, Mayer, B.J, Baltimore, D, Cowburn, D.
Deposit date:1993-07-19
Release date:1994-01-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Three-dimensional solution structure of the src homology 2 domain of c-abl.
Cell(Cambridge,Mass.), 70, 1992
5J36
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BU of 5j36 by Molmil
Crystal structure of 60-mer BFDV Capsid Protein
Descriptor: Beak and feather disease virus capsid protein, PHOSPHATE ION
Authors:Sarker, S, Raidal, S, Aragao, D, Forwood, J.K.
Deposit date:2016-03-30
Release date:2016-05-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural insights into the assembly and regulation of distinct viral capsid complexes.
Nat Commun, 7, 2016
1RNQ
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BU of 1rnq by Molmil
RIBONUCLEASE A CRYSTALLIZED FROM 8M SODIUM FORMATE
Descriptor: FORMIC ACID, RIBONUCLEASE A
Authors:Fedorov, A.A, Josef-Mccarthy, D, Graf, I, Anguelova, D, Fedorov, E.V, Almo, S.C.
Deposit date:1995-11-08
Release date:1996-04-03
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ionic interactions in crystalline bovine pancreatic ribonuclease A.
Biochemistry, 35, 1996
5J09
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BU of 5j09 by Molmil
Crystal structure of decameric BFDV Capsid Protein
Descriptor: Beak and feather disease virus capsid protein
Authors:Sarker, S, Raidal, S, Aragao, D, Forwood, J.K.
Deposit date:2016-03-28
Release date:2016-05-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the assembly and regulation of distinct viral capsid complexes.
Nat Commun, 7, 2016
5J37
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BU of 5j37 by Molmil
Crystal structure of 60-mer BFDV Capsid Protein in complex with single stranded DNA
Descriptor: Beak and feather disease virus capsid protein, PHOSPHATE ION, single stranded DNA
Authors:Sarker, S, Raidal, S, Aragao, D, Forwood, J.K.
Deposit date:2016-03-30
Release date:2016-05-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the assembly and regulation of distinct viral capsid complexes.
Nat Commun, 7, 2016
5C94
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BU of 5c94 by Molmil
Infectious bronchitis virus nsp9
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Non-structural protein 9
Authors:Chen, C, Dou, Y, Yang, H, Su, D.
Deposit date:2015-06-26
Release date:2016-06-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.438 Å)
Cite:Structural basis for dimerization and RNA binding of avian infectious bronchitis virus nsp9.
Protein Sci., 26, 2017
1PE5
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BU of 1pe5 by Molmil
Thermolysin with tricyclic inhibitor
Descriptor: (6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHYLPHOSPHINATE, 3-METHYLBUTAN-1-AMINE, CALCIUM ION, ...
Authors:Juers, D, Holland, D, Morgan, B.P, Bartlett, P.A, Matthews, B.W.
Deposit date:2003-05-21
Release date:2004-06-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conformational Constraint and Structural Complementarity in Thermolysin Inhibitors: Structures of Enzyme Complexes and Conclusions
To be Published
5G5C
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BU of 5g5c by Molmil
Structure of the Pyrococcus furiosus Esterase Pf2001 with space group C2221
Descriptor: ESTERASE
Authors:Varejao, N, Reverter, D.
Deposit date:2016-05-23
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase.
Structure, 26, 2018
5G59
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BU of 5g59 by Molmil
Structure of the Pyrococcus Furiosus Esterase Pf2001 with space group P3121
Descriptor: ESTERASE, MERCURY (II) ION
Authors:Varejao, N, Reverter, D.
Deposit date:2016-05-23
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.613 Å)
Cite:Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase.
Structure, 26, 2018
5JV5
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BU of 5jv5 by Molmil
Trypanosome brucei Hypoxanthine-guanine phosphoribosyltranferase in complex with Guanosine 5' monophosphate
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, ...
Authors:Teran, D, Guddat, L.
Deposit date:2016-05-10
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Crystal structures and inhibition of Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase.
Sci Rep, 6, 2016
8AQT
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BU of 8aqt by Molmil
Beta SARS-CoV-2 Spike bound to mouse ACE2 (local)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ...
Authors:Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E.
Deposit date:2022-08-13
Release date:2023-03-01
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range.
Plos Pathog., 19, 2023
8AQW
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BU of 8aqw by Molmil
BA.4/5 SARS-CoV-2 Spike bound to mouse ACE2 (local)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ...
Authors:Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E.
Deposit date:2022-08-13
Release date:2023-03-15
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range.
Plos Pathog., 19, 2023
5K7V
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BU of 5k7v by Molmil
Computational Design of Self-Assembling Cyclic Protein Homooligomers
Descriptor: Designed protein HR00C3
Authors:Sankaran, B, Zwart, P.H, Fallas, J.A, Pereira, J.H, Ueda, G, Baker, D.
Deposit date:2016-05-26
Release date:2017-04-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.165 Å)
Cite:Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
5KBA
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BU of 5kba by Molmil
Computational Design of Self-Assembling Cyclic Protein Homooligomers
Descriptor: Designed protein ANK1C2
Authors:Sankaran, B, Zwart, P.H, Fallas, J.A, Pereira, J.H, Ueda, G, Baker, D.
Deposit date:2016-06-02
Release date:2017-04-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
5K2H
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BU of 5k2h by Molmil
Structure of GNNQQNY from yeast prion Sup35 in space group P212121 determined by MicroED
Descriptor: Eukaryotic peptide chain release factor GTP-binding subunit
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.05 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
6VQN
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BU of 6vqn by Molmil
Co-crystal structure of human PD-L1 complexed with Compound A
Descriptor: N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide), Programmed cell death 1 ligand 1
Authors:White, A, Lakshminarasimhan, D, Leo, C, Suto, R.K.
Deposit date:2020-02-05
Release date:2021-01-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Checkpoint inhibition through small molecule-induced internalization of programmed death-ligand 1.
Nat Commun, 12, 2021
2MR9
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BU of 2mr9 by Molmil
NMR structure of UBA domain of DNA-damage-inducible 1 protein (Ddi1)
Descriptor: DNA damage-inducible protein 1
Authors:Zhang, D, Fushman, D.
Deposit date:2014-07-02
Release date:2015-02-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:DNA-Damage-Inducible 1 Protein (Ddi1) Contains an Uncharacteristic Ubiquitin-like Domain that Binds Ubiquitin.
Structure, 23, 2015

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