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5HHV
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BU of 5hhv by Molmil
Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide
Descriptor: CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, IL-17A peptide inhibitor, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-06-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibiting complex IL-17A and IL-17RA interactions with a linear peptide.
Sci Rep, 6, 2016
5HI3
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BU of 5hi3 by Molmil
Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists
Descriptor: CAT-2000 FAB heavy chain, CAT-2000 FAB light chain, Interleukin-17A, ...
Authors:Liu, S.
Deposit date:2016-01-11
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Binding site elucidation and structure guided design of macrocyclic IL-17A antagonists.
Sci Rep, 6, 2016
3AFP
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BU of 3afp by Molmil
Crystal structure of the single-stranded DNA binding protein from Mycobacterium leprae (Form I)
Descriptor: CADMIUM ION, GLYCEROL, Single-stranded DNA-binding protein
Authors:Kaushal, P.S, Singh, P, Sharma, A, Muniyappa, K, Vijayan, M.
Deposit date:2010-03-10
Release date:2010-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:X-ray and molecular-dynamics studies on Mycobacterium leprae single-stranded DNA-binding protein and comparison with other eubacterial SSB structures
Acta Crystallogr.,Sect.D, 66, 2010
2FGE
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BU of 2fge by Molmil
Crystal structure of presequence protease PreP from Arabidopsis thaliana
Descriptor: CHLORIDE ION, MAGNESIUM ION, ZINC ION, ...
Authors:Eneqvist, T, Johnson, K.A.
Deposit date:2005-12-21
Release date:2006-05-16
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The closed structure of presequence protease PreP forms a unique 10 000 A(3) chamber for proteolysis
Embo J., 25, 2006
3Q16
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BU of 3q16 by Molmil
Linkage between the Bacterial Acid Stress and Stringent Responses: The Structure of the Inducible Lysine Decarboxylase
Descriptor: Lysine decarboxylase, inducible
Authors:El Bakkouri, M, Pai, E.F, Houry, W.A.
Deposit date:2010-12-16
Release date:2011-02-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Linkage between the bacterial acid stress and stringent responses: the structure of the inducible lysine decarboxylase.
Embo J., 30, 2011
7BZM
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BU of 7bzm by Molmil
Crystal structure of rice Os3BGlu7 with glucoimidazole
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, GLUCOIMIDAZOLE, ...
Authors:Pengthaisong, S, Ketudat Cairns, J.R, Tankrathok, A.
Deposit date:2020-04-28
Release date:2020-07-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of Specific Glucoimidazole and Mannoimidazole Binding by Os3BGlu7.
Biomolecules, 10, 2020
7BY6
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BU of 7by6 by Molmil
Plasmodium vivax cytoplasmic Phenylalanyl-tRNA synthetase in complex with BRD1389
Descriptor: (3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide, MAGNESIUM ION, Phenylalanyl-tRNA synthetase beta chain, ...
Authors:Malhotra, N, Manmohan, S, Harlos, K, Melillo, B, Schreiber, S.L, Manickam, Y, Sharma, S.
Deposit date:2020-04-21
Release date:2020-11-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.997 Å)
Cite:Structural basis of malaria parasite phenylalanine tRNA-synthetase inhibition by bicyclic azetidines.
Nat Commun, 12, 2021
7V97
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BU of 7v97 by Molmil
Arsenic-bound p53 DNA-binding domain mutant V272M
Descriptor: ARSENIC, Cellular tumor antigen p53, ZINC ION
Authors:Lu, M, Xing, Y.F, Wang, Z.Y, Ni, Y, Song, H.X.
Deposit date:2021-08-24
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Diverse rescue potencies of p53 mutations to ATO are predetermined by intrinsic mutational properties.
Sci Transl Med, 15, 2023
1OZ1
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BU of 1oz1 by Molmil
P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR
Descriptor: 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL, Mitogen-activated protein kinase 14
Authors:Lovejoy, B, Villasenor, A, Browner, M, Dunten, P.
Deposit date:2003-04-07
Release date:2003-09-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase.
J.Med.Chem., 46, 2003
3IO7
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BU of 3io7 by Molmil
2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2
Descriptor: (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.W, Pierce, A.C.
Deposit date:2009-08-13
Release date:2009-11-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.
Bioorg.Med.Chem.Lett., 19, 2009
8CDT
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BU of 8cdt by Molmil
Crystal structure of the xNup93-Nb2t VHH antibody
Descriptor: 15-Nup93 tracking VHH antibody, GLYCEROL
Authors:Guttler, T, Colom, M.S, Gorlich, D.
Deposit date:2023-02-01
Release date:2024-02-21
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:A checkpoint function for Nup98 in nuclear pore formation suggested by novel inhibitory nanobodies.
Embo J., 43, 2024
8CDS
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BU of 8cds by Molmil
Crystal structure of the xhNup93-Nb4i VHH antibody
Descriptor: 1,2-ETHANEDIOL, 5-Nup93 inhibitory VHH antibody, DI(HYDROXYETHYL)ETHER
Authors:Guttler, T, Colom, M.S, Gorlich, D.
Deposit date:2023-02-01
Release date:2024-02-21
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:A checkpoint function for Nup98 in nuclear pore formation suggested by novel inhibitory nanobodies.
Embo J., 43, 2024
3IOK
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BU of 3iok by Molmil
2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2
Descriptor: 3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.W, Pierce, A.C.
Deposit date:2009-08-14
Release date:2009-11-10
Last modified:2013-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.
Bioorg.Med.Chem.Lett., 19, 2009
7W0G
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BU of 7w0g by Molmil
Human PPAR delta ligand binding domain in complex with a synthetic agonist H11
Descriptor: 2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta
Authors:Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q.
Deposit date:2021-11-18
Release date:2022-02-02
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.443 Å)
Cite:Design, Synthesis, and Biological Evaluation of Triazolone Derivatives as Potent PPAR alpha / delta Dual Agonists for the Treatment of Nonalcoholic Steatohepatitis.
J.Med.Chem., 65, 2022
8SIT
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BU of 8sit by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibody CC84.24 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC84.24 fab heavy chain, CC84.24 fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2023-04-16
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift
Biorxiv, 2023
7W7F
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BU of 7w7f by Molmil
Cryo-EM structure of human NaV1.3/beta1/beta2-ICA121431
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2,2-diphenyl-~{N}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Jiang, D, Li, X.
Deposit date:2021-12-04
Release date:2022-04-06
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structural basis for modulation of human Na V 1.3 by clinical drug and selective antagonist.
Nat Commun, 13, 2022
7W77
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BU of 7w77 by Molmil
cryo-EM structure of human NaV1.3/beta1/beta2-bulleyaconitineA
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Jiang, D, Li, X.
Deposit date:2021-12-03
Release date:2022-04-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for modulation of human Na V 1.3 by clinical drug and selective antagonist.
Nat Commun, 13, 2022
8SIS
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BU of 8sis by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibody CC84.2 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC84.2 Fab heavy chain, CC84.2 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2023-04-16
Release date:2024-03-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift
Biorxiv, 2023
8SIR
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BU of 8sir by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibody CC25.54 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC25.54 Fab heavy chain, CC25.54 Fab light chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2023-04-16
Release date:2024-03-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift
Biorxiv, 2023
8DIK
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BU of 8dik by Molmil
Redox properties and PAS domain structure of the E. coli Energy Sensor Aer indicate a multi-state sensing mechanism
Descriptor: Aerotaxis receptor, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Maschmann, Z, Chua, T.K, Crane, B.R.
Deposit date:2022-06-29
Release date:2022-11-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Redox properties and PAS domain structure of the Escherichia coli energy sensor Aer indicate a multistate sensing mechanism.
J.Biol.Chem., 298, 2022
8SIQ
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BU of 8siq by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibodies CC25.36 and CV38-142 Fab
Descriptor: CC25.36 Fab heavy chain, CC25.36 Fab light chain, CV38-142 Fab heavy chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2023-04-16
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Broadly neutralizing antibodies targeting a conserved silent face of spike RBD resist extreme SARS-CoV-2 antigenic drift
Biorxiv, 2023
4HQQ
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BU of 4hqq by Molmil
Crystal structure of RV144-elicited antibody CH58
Descriptor: CH58 Fab heavy chain, CH58 Fab light chain
Authors:McLellan, J.S, Haynes, B.F, Kwong, P.D.
Deposit date:2012-10-25
Release date:2013-02-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Vaccine Induction of Antibodies against a Structurally Heterogeneous Site of Immune Pressure within HIV-1 Envelope Protein Variable Regions 1 and 2.
Immunity, 38, 2013
8DC1
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BU of 8dc1 by Molmil
Structural and biochemical characterization of L. interrogans Lsa45 reveals a penicillin-binding protein with esterase activity
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IODIDE ION, ...
Authors:Santos, J.C, Nascimento, A.L.T.O.
Deposit date:2022-06-15
Release date:2023-01-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structural and biochemical characterization of Leptospira interrogans Lsa45 reveals a penicillin-binding protein with esterase activity.
Process Biochem, 125, 2023
8DGX
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BU of 8dgx by Molmil
Crystal structure of MERS-CoV spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC68.109 isolated from a vaccinated COVID-19 convalescent
Descriptor: Antibody CC68.109 Fab heavy chain, Antibody CC68.109 Fab light chain, Spike protein S2'
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-06-24
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Broadly neutralizing anti-S2 antibodies protect against all three human betacoronaviruses that cause deadly disease.
Immunity, 56, 2023
8DGU
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BU of 8dgu by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with Fab of broadly neutralizing antibody CC25.106 isolated from a vaccinated COVID-19 convalescent
Descriptor: Antibody CC25.106 Fab heavy chain, Antibody CC25.106 Fab light chain, GLYCEROL, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2022-06-24
Release date:2023-01-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Broadly neutralizing anti-S2 antibodies protect against all three human betacoronaviruses that cause deadly disease.
Immunity, 56, 2023

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