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6RP9
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BU of 6rp9 by Molmil
Crystal structure of the T-cell receptor NYE_S3 bound to HLA A2*01-SLLMWITQV
Descriptor: Beta-2-microglobulin, Cancer/testis antigen 1, HLA class I histocompatibility antigen, ...
Authors:Coles, C.H, Mulvaney, R, Malla, S, Lloyd, A, Smith, K, Chester, F, Knox, A, Stacey, A.R, Dukes, J, Baston, E, Griffin, S, Vuidepot, A, Jakobsen, B.K, Harper, S.
Deposit date:2019-05-14
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:TCRs with Distinct Specificity Profiles Use Different Binding Modes to Engage an Identical Peptide-HLA Complex.
J Immunol., 204, 2020
1A8P
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BU of 1a8p by Molmil
FERREDOXIN REDUCTASE FROM AZOTOBACTER VINELANDII
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADPH:FERREDOXIN OXIDOREDUCTASE
Authors:Prasad, G.S, Kresge, N, Muhlberg, A.B, Shaw, A, Jung, Y.S, Burgess, B.K, Stout, C.D.
Deposit date:1998-03-28
Release date:1998-06-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of NADPH:ferredoxin reductase from Azotobacter vinelandii.
Protein Sci., 7, 1998
8C19
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BU of 8c19 by Molmil
SARS-CoV-2 NSP3 macrodomain in complex with 1-methyl-4-[5-(morpholin-4-ylcarbonyl)-2-furyl]-1H-pyrrolo[2,3-b]pyridine
Descriptor: 1,2-ETHANEDIOL, Non-structural protein 3, [5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]-morpholin-4-yl-methanone
Authors:Schuller, M, Ahel, I.
Deposit date:2022-12-20
Release date:2023-03-08
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Development Strategies for SARS-CoV-2 NSP3 Macrodomain Inhibitors.
Pathogens, 12, 2023
5XJW
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BU of 5xjw by Molmil
Crystal Structure of the [Co2+-(Chromomycin A3)2]-CCG repeats Complex
Descriptor: (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-4-O-acetyl-2,6-dideoxy-beta-D-galactopyranose, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-beta-D-Olivopyranose-(1-3)-beta-D-Olivopyranose, ...
Authors:Tseng, W.H, Wu, P.C, Satange, R.B, Hou, M.H.
Deposit date:2017-05-04
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Crystal Structure of the [Co2+-(Chromomycin A3)2]-CCG repeats Complex
To be published
5KKF
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BU of 5kkf by Molmil
Crystal structure of TEM1 beta-lactamase mutant I263L
Descriptor: Beta-lactamase TEM
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2016-06-21
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
8ESD
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BU of 8esd by Molmil
Crystal structure of COMMD7-COMMD9-COMMD5-COMMD10 tetramer
Descriptor: COMM domain-containing protein 10, COMM domain-containing protein 5, COMM domain-containing protein 7, ...
Authors:Healy, M.D, Collins, B.M.
Deposit date:2022-10-13
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Structure of the endosomal Commander complex linked to Ritscher-Schinzel syndrome.
Cell, 186, 2023
8ESE
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BU of 8ese by Molmil
Crystal structure of human Vps29 bound to a peptide from Vps35L
Descriptor: VPS35 endosomal protein-sorting factor-like, Vacuolar protein sorting-associated protein 29
Authors:Healy, M.D, Collins, B.M.
Deposit date:2022-10-13
Release date:2023-05-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of the endosomal Commander complex linked to Ritscher-Schinzel syndrome.
Cell, 186, 2023
8F2R
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BU of 8f2r by Molmil
Human CCC complex
Descriptor: COMM domain-containing protein 1, COMM domain-containing protein 10, COMM domain-containing protein 2, ...
Authors:Healy, M.D, McNally, K.E, Butkovic, R, Chilton, M, Kato, K, Sacharz, J, McConville, C, Moody, E.R.R, Shaw, S, Planelles-Herrero, V.J, Kadapalakere, S.Y, Ross, J, Borucu, U, Palmer, C.S, Chen, K, Croll, T.I, Hall, R.J, Caruana, N.J, Ghai, R, Nguyen, T.H.D, Heesom, K.J, Saitoh, S, Berger, I, Berger-Schaffitzel, C, Williams, T.A, Stroud, D.A, Derivery, E, Collins, B.M, Cullen, P.J.
Deposit date:2022-11-08
Release date:2023-05-24
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Structure of the endosomal Commander complex linked to Ritscher-Schinzel syndrome.
Cell, 186, 2023
5KQH
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BU of 5kqh by Molmil
Crystal structure of the V293D variant of catalase-peroxidase from B. pseudomallei
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-07-06
Release date:2017-04-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine.
Biochemistry, 56, 2017
6LQ7
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BU of 6lq7 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C17CoA
Descriptor: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2020-01-13
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6TZF
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BU of 6tzf by Molmil
ADC-7 in complex with boronic acid transition state inhibitor S17079
Descriptor: 3-(1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazol-4-yl)benzoic acid, Beta-lactamase
Authors:Fish, E.R, Powers, R.A, Wallar, B.J.
Deposit date:2019-08-12
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:1,2,3-Triazolylmethaneboronate: A Structure Activity Relationship Study of a Class of beta-Lactamase Inhibitors againstAcinetobacter baumanniiCephalosporinase.
Acs Infect Dis., 6, 2020
6LQ3
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BU of 6lq3 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C12CoA
Descriptor: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2020-01-12
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
8F2U
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BU of 8f2u by Molmil
Human CCC complex
Descriptor: COMM domain-containing protein 1, COMM domain-containing protein 10, COMM domain-containing protein 2, ...
Authors:Healy, M.D, McNally, K.E, Butkovic, R, Chilton, M, Kato, K, Sacharz, J, McConville, C, Moody, E.R.R, Shaw, S, Planelles-Herrero, V.J, Kadapalakere, S.Y, Ross, J, Borucu, U, Palmer, C.S, Chen, K, Croll, T.I, Hall, R.J, Caruana, N.J, Ghai, R, Nguyen, T.H.D, Heesom, K.J, Saitoh, S, Berger, I, Berger-Schaffitzel, C, Williams, T.A, Stroud, D.A, Derivery, E, Collins, B.M, Cullen, P.J.
Deposit date:2022-11-08
Release date:2023-05-24
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Structure of the endosomal Commander complex linked to Ritscher-Schinzel syndrome.
Cell, 186, 2023
1A6B
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BU of 1a6b by Molmil
NMR STRUCTURE OF THE COMPLEX BETWEEN THE ZINC FINGER PROTEIN NCP10 OF MOLONEY MURINE LEUKEMIA VIRUS AND A SEQUENCE OF THE PSI-PACKAGING DOMAIN OF HIV-1, 20 STRUCTURES
Descriptor: DNA (5'-D(*AP*CP*GP*CP*C)-3'), ZINC FINGER PROTEIN NCP10, ZINC ION
Authors:Schueler, W, Dong, C.-Z, Wecker, K, Roques, B.P.
Deposit date:1998-02-23
Release date:1999-08-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structure of the complex between the zinc finger protein NCp10 of Moloney murine leukemia virus and the single-stranded pentanucleotide d(ACGCC): comparison with HIV-NCp7 complexes.
Biochemistry, 38, 1999
5KON
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BU of 5kon by Molmil
Protruding domain of GII.4 human norovirus isolate 08-14
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, VP1
Authors:Singh, B.K, Hansman, G.S.
Deposit date:2016-07-01
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Four decades of structural evolution of GII.4 norovirus
To be published
5KQ3
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BU of 5kq3 by Molmil
Crystal structure of the D141A/Q233E variant of catalase-peroxidase from B. pseudomallei
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-07-05
Release date:2017-04-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine.
Biochemistry, 56, 2017
8CGC
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BU of 8cgc by Molmil
Structure of CSF1R in complex with a pyrollopyrimidine (compound 23)
Descriptor: (2S)-2-hydroxybutanedioic acid, GLYCEROL, Macrophage colony-stimulating factor 1 receptor, ...
Authors:Aarhus, T.I, Bjornstad, F, Wolowczyk, C, Larsen, K.U, Rognstad, L, Leithaug, T, Unger, A, Habenberger, P, Wolff, A, Bjorkoy, G, Pridans, C, Eickhoff, J, Klebl, B, Hoff, B.H, Sundby, E.
Deposit date:2023-02-03
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.925 Å)
Cite:Synthesis and Development of Highly Selective Pyrrolo[2,3- d ]pyrimidine CSF1R Inhibitors Targeting the Autoinhibited Form.
J.Med.Chem., 66, 2023
7SFN
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BU of 7sfn by Molmil
Crystal structure of OlmO, a spirocyclase involved in the biosynthesis of oligomycin
Descriptor: D-MALATE, OlmO - oligomycin spirocyclase
Authors:Bilyk, O, Leadlay, P.F, Dias, M.V.B.
Deposit date:2021-10-04
Release date:2022-08-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Enzyme-Catalyzed Spiroacetal Formation in Polyketide Antibiotic Biosynthesis.
J.Am.Chem.Soc., 144, 2022
5KJR
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BU of 5kjr by Molmil
Crystal structure of the ADCC-potent antibody N60-i3 Fab in complex with HIV-1 Clade A/E gp120 W69A/S115W mutant and M48U1.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, M48U1 CD4 MIMETIC PEPTIDE, ...
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2016-06-20
Release date:2016-07-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:A Highly Conserved gp120 Inner Domain Residue Modulates Env Conformation and Trimer Stability.
J.Virol., 90, 2016
5KKD
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BU of 5kkd by Molmil
Truncated hemolysin A Y134A from P. mirabilis at 2.1 Angstroms resolution crystallized in a high salt condition
Descriptor: Hemolysin, SULFATE ION
Authors:Novak, W.R.P, Bhattacharyya, B, Weaver, T.M.
Deposit date:2016-06-21
Release date:2017-03-22
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Proteolysis of truncated hemolysin A yields a stable dimerization interface.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5E5P
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BU of 5e5p by Molmil
Wild type I-SmaMI in the space group of C121
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, I-SmaMI LAGLIDADG meganuclease
Authors:Shen, B.W.
Deposit date:2015-10-09
Release date:2016-01-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease.
J.Mol.Biol., 428, 2016
6A0I
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BU of 6a0i by Molmil
Crystal structure of human protein N-terminal asparagine amidohydrolase (NTAN1) C75S mutant
Descriptor: GLYCEROL, PHOSPHATE ION, Protein N-terminal asparagine amidohydrolase
Authors:Park, J.S, Han, B.W.
Deposit date:2018-06-05
Release date:2019-12-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Structural Analyses on the Deamidation of N-Terminal Asn in the Human N-Degron Pathway.
Biomolecules, 10, 2020
6UFF
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BU of 6uff by Molmil
Structure of Ene-reductase 1 NostocER1 from cyanobacteria
Descriptor: CALCIUM ION, Ene-reductase 1, FLAVIN MONONUCLEOTIDE
Authors:Sandoval, B, Jeffrey, P.D, Hyster, T.
Deposit date:2019-09-24
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.007 Å)
Cite:Photoenzymatic Hydrogenation of Heteroaromatic Olefins Using 'Ene'-Reductases with Photoredox Catalysts.
Angew.Chem.Int.Ed.Engl., 59, 2020
6EE0
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BU of 6ee0 by Molmil
Crystal Structure of SNX23 PX domain
Descriptor: Kinesin-like protein KIF16B
Authors:Chandra, M, Collins, B.M.
Deposit date:2018-08-12
Release date:2018-08-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.518 Å)
Cite:Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
8SKU
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BU of 8sku by Molmil
Structure of human SIgA1 in complex with human CD89 (FcaR1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin J chain, ...
Authors:Liu, Q, Stadtmueller, B.M.
Deposit date:2023-04-20
Release date:2023-10-25
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:SIgA structures bound to Streptococcus pyogenes M4 and human CD89 provide insights into host-pathogen interactions.
Nat Commun, 14, 2023

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