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7RR0
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BU of 7rr0 by Molmil
SARS-CoV-2 receptor binding domain bound to Fab PDI 222
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PDI 222 Fab Heavy Chain, PDI 222 Fab Light Chain, ...
Authors:Pymm, P, Glukhova, A, Black, K.A, Tham, W.H.
Deposit date:2021-08-08
Release date:2021-10-06
Last modified:2021-10-27
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain.
Cell Rep, 37, 2021
1TMC
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BU of 1tmc by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF A CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX MOLECULE MISSING THE ALPHA3 DOMAIN OF THE HEAVY CHAIN
Descriptor: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-AW68), DECAMERIC PEPTIDE (EVAPPEYHRK)
Authors:Collins, E.J, Garboczi, D.N, Karpusas, M.N, Wiley, D.C.
Deposit date:1994-12-19
Release date:1995-03-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The three-dimensional structure of a class I major histocompatibility complex molecule missing the alpha 3 domain of the heavy chain.
Proc.Natl.Acad.Sci.USA, 92, 1995
5HQG
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BU of 5hqg by Molmil
WD40 domain of Human E3 Ubiquitin Ligase COP1 (RFWD2)
Descriptor: E3 ubiquitin-protein ligase RFWD2
Authors:Uljon, S, Blacklow, S.C.
Deposit date:2016-01-21
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Substrate Selectivity of the E3 Ligase COP1.
Structure, 24, 2016
6E6M
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BU of 6e6m by Molmil
Crystal structure of human cellular retinol-binding protein 1 in complex with cannabidiorcin (CBDO)
Descriptor: (1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol, Retinol-binding protein 1
Authors:Silvaroli, J.A, Horwitz, S, Banerjee, S, Kiser, P.D, Golczak, M.
Deposit date:2018-07-25
Release date:2019-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
6E5T
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BU of 6e5t by Molmil
Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiorcin (Abn-CBDO)
Descriptor: (1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinol-binding protein 1
Authors:Silvaroli, J.A, Horwitz, S, Banerjee, S, Kiser, P.D, Golczak, M.
Deposit date:2018-07-23
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
5IGO
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BU of 5igo by Molmil
WD40 domain of Arabidopsis thaliana E3 Ubiquitin Ligase COP1 in complex with peptide from Trib1
Descriptor: E3 ubiquitin-protein ligase COP1, Tribbles homolog 1
Authors:Uljon, S, Blacklow, S.C.
Deposit date:2016-02-28
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Substrate Selectivity of the E3 Ligase COP1.
Structure, 24, 2016
2XDE
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BU of 2xde by Molmil
Crystal structure of the complex of PF-3450074 with an engineered HIV capsid N terminal domain
Descriptor: GAG POLYPROTEIN, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE
Authors:Brown, D.G, Irving, S.L, Anderson, M, Bazin, R.
Deposit date:2010-04-30
Release date:2010-12-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:HIV Capsid is a Tractable Target for Small Molecule Therapeutic Intervention.
Plos Pathog., 6, 2010
2VQC
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BU of 2vqc by Molmil
Structure of a DNA binding winged-helix protein, F-112, from Sulfolobus Spindle-shaped Virus 1.
Descriptor: HYPOTHETICAL 13.2 KDA PROTEIN
Authors:Menon, S.K, Kraft, P, Corn, G.J, Wiedenheft, B, Young, M.J, Lawrence, C.M.
Deposit date:2008-03-12
Release date:2008-05-06
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cysteine Usage in Sulfolobus Spindle-Shaped Virus 1 and Extension to Hyperthermophilic Viruses in General.
Virology, 376, 2008
8LDH
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BU of 8ldh by Molmil
REFINED CRYSTAL STRUCTURE OF DOGFISH M4 APO-LACTATE DEHYDROGENASE
Descriptor: CITRIC ACID, M4 APO-LACTATE DEHYDROGENASE
Authors:Abad-Zapatero, C, Rossmann, M.G.
Deposit date:1988-01-04
Release date:1989-07-12
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Refined crystal structure of dogfish M4 apo-lactate dehydrogenase.
J.Mol.Biol., 198, 1987
5YVE
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BU of 5yve by Molmil
Crystal structure of human P2X3 receptor in complex with the AF-219 negative allosteric modulator
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide, MAGNESIUM ION, ...
Authors:Wang, Y, Hattori, M.
Deposit date:2017-11-25
Release date:2018-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Druggable negative allosteric site of P2X3 receptors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4GIH
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BU of 4gih by Molmil
Tyk2 (JH1) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE
Descriptor: 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H.
Deposit date:2012-08-08
Release date:2013-06-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4GFM
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BU of 4gfm by Molmil
JAK2 kinase (JH1 domain) with 2,6-DICHLORO-N-(2-OXO-2,5-DIHYDROPYRIDIN-4-YL)BENZAMIDE
Descriptor: 2,6-dichloro-N-(2-oxo-2,5-dihydropyridin-4-yl)benzamide, Tyrosine-protein kinase JAK2
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2012-08-03
Release date:2013-06-19
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4GMY
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BU of 4gmy by Molmil
JAK2 kinase (JH1 domain) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE
Descriptor: 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Tyrosine-protein kinase JAK2
Authors:Murray, J.M, Shia, S.
Deposit date:2012-08-16
Release date:2013-06-19
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
4GVJ
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BU of 4gvj by Molmil
Tyk2 (JH1) in complex with adenosine di-phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Non-receptor tyrosine-protein kinase TYK2
Authors:Liang, J, Abbema, A.V, Bao, L, Barrett, K, Beresini, M, Berezhkovskiy, L, Blair, W, Chang, C, Driscoll, J, Eigenbrot, C, Ghilardi, N, Gibbons, P, Halladay, J, Johnson, A, Kohli, P.B, Lai, Y, Liimatta, M, Mantik, P, Menghrajani, K, Murray, J, Sambrone, A, Shao, Y, Shia, S, Shin, Y, Smith, J, Sohn, S, Stanley, M, Tsui, V, Ultsch, M, Wu, L, Zhang, B, Magnuson, S.
Deposit date:2012-08-30
Release date:2013-08-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
1HSA
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BU of 1hsa by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF HLA-B27 AT 2.1 ANGSTROMS RESOLUTION SUGGESTS A GENERAL MECHANISM FOR TIGHT PEPTIDE BINDING TO MHC
Descriptor: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-B*2705), MODEL PEPTIDE SEQUENCE - ARAAAAAAA
Authors:Madden, D.R, Gorga, J.C, Strominger, J.L, Wiley, D.C.
Deposit date:1992-08-11
Release date:1992-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The three-dimensional structure of HLA-B27 at 2.1 A resolution suggests a general mechanism for tight peptide binding to MHC.
Cell(Cambridge,Mass.), 70, 1992
6MX8
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BU of 6mx8 by Molmil
Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib
Descriptor: 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
Authors:Dougan, D.R, Zhou, T.
Deposit date:2018-10-30
Release date:2018-12-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase.
J. Med. Chem., 59, 2016
6N2C
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BU of 6n2c by Molmil
The Crystal Structure of Caldicellulosiruptor hydrothermalis Tapirin C-terminal domain
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2018-11-12
Release date:2018-12-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Comparative Biochemical and Structural Analysis of Novel Cellulose Binding Proteins (Tapirins) from Extremely ThermophilicCaldicellulosiruptorSpecies.
Appl. Environ. Microbiol., 85, 2019
6N2B
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BU of 6n2b by Molmil
The Crystal Structure of Caldicellulosiruptor kristjanssonii Tapirin C-terminal domain
Descriptor: CALCIUM ION, GLYCEROL, Tapirin
Authors:Alahuhta, P.M, Lunin, V.V.
Deposit date:2018-11-12
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Comparative Biochemical and Structural Analysis of Novel Cellulose Binding Proteins (Tapirins) from Extremely ThermophilicCaldicellulosiruptorSpecies.
Appl. Environ. Microbiol., 85, 2019
7BYK
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BU of 7byk by Molmil
Crystal structure of the Legionella pneumophila LegK7 effector kinase
Descriptor: LegK7
Authors:Park, S.C, Kim, T.H, Yoon, S.I.
Deposit date:2020-04-23
Release date:2020-12-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Activation of the Legionella pneumophila LegK7 Effector Kinase by the Host MOB1 Protein.
J.Mol.Biol., 433, 2020
1NWP
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BU of 1nwp by Molmil
CRYSTALLOGRAPHIC STUDY OF AZURIN FROM PSEUDOMONAS PUTIDA
Descriptor: AZURIN, COPPER (II) ION, ZINC ION
Authors:Mathews, F.S, Chen, Z.-W.
Deposit date:1997-09-06
Release date:1998-01-28
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic study of azurin from Pseudomonas putida.
Acta Crystallogr.,Sect.D, 54, 1998
1NWO
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BU of 1nwo by Molmil
CRYSTALLOGRAPHIC STUDY OF AZURIN FROM PSEUDOMONAS PUTIDA
Descriptor: AZURIN, COPPER (II) ION
Authors:Mathews, F.S, Chen, Z.-W.
Deposit date:1997-09-06
Release date:1998-01-28
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystallographic study of azurin from Pseudomonas putida.
Acta Crystallogr.,Sect.D, 54, 1998
2CLR
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BU of 2clr by Molmil
THREE DIMENSIONAL STRUCTURE OF A PEPTIDE EXTENDING OUT ONE END OF A CLASS I MHC BINDING SITE
Descriptor: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A 0201) (ALPHA CHAIN), DECAMERIC PEPTIDE FROM CALRETICULIN
Authors:Collins, E.J, Garboczi, D.N, Wiley, D.C.
Deposit date:1994-08-01
Release date:1995-03-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structure of a peptide extending from one end of a class I MHC binding site.
Nature, 371, 1994
7ZZK
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BU of 7zzk by Molmil
Structure of the N-acetyl-D-glucosamine oxidase from Ralstonia Solanacearum
Descriptor: ALANINE, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Boverio, A, Rozeboom, H.J, Fraaije, M.W.
Deposit date:2022-05-25
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Elucidation and Engineering of a Bacterial Carbohydrate Oxidase.
Biochemistry, 62, 2023
8BEG
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BU of 8beg by Molmil
Structure of Ig-like domains from PrgB
Descriptor: MAGNESIUM ION, PrgB
Authors:Jarva, M, Schmitt, A, Berntsson, R.P.-A.
Deposit date:2022-10-21
Release date:2022-11-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural foundation for the role of enterococcal PrgB in conjugation, biofilm formation, and virulence.
Elife, 12, 2023
3HLA
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BU of 3hla by Molmil
HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN A2.1
Descriptor: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A2.1) (ALPHA CHAIN)
Authors:Saper, M.A, Bjorkman, P.J, Wiley, D.C.
Deposit date:1989-10-06
Release date:1990-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Refined structure of the human histocompatibility antigen HLA-A2 at 2.6 A resolution.
J.Mol.Biol., 219, 1991

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