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8W49
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BU of 8w49 by Molmil
mouse isocitrate dehydrogenase with isocitrate and magnesium
Descriptor: ISOCITRIC ACID, ISOPROPYL ALCOHOL, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
Authors:Kang, B.S, Cho, H.Y.
Deposit date:2023-08-23
Release date:2024-09-04
Last modified:2025-09-17
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Allosteric inhibition of cytosolic NADP + -dependent isocitrate dehydrogenase by oxaloacetate.
J.Struct.Biol., 217, 2025
5UMB
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BU of 5umb by Molmil
Crystal structure of ATPase domain of Malaria GRP78 with ADP bound
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone DnaK, MAGNESIUM ION, ...
Authors:Chen, Y, Antoshchenko, T, Pizarro, J.C, Song, J.H, Park, H.
Deposit date:2017-01-26
Release date:2022-07-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Repurposing drugs to target the malaria parasite unfolding protein response.
Sci Rep, 8, 2018
8VBM
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BU of 8vbm by Molmil
Structure of bovine anti-HIV Fab ElsE7
Descriptor: Bovine Fab ElsE7 heavy chain, Bovine Fab ElsE7 light chain
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2023-12-12
Release date:2024-09-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Immunization of cows with HIV envelope trimers generates broadly neutralizing antibodies to the V2-apex from the ultralong CDRH3 repertoire.
Plos Pathog., 20, 2024
6VMJ
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BU of 6vmj by Molmil
Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12
Descriptor: CITRIC ACID, Complement factor D, Fab20D12 Light Chain, ...
Authors:Wu, P, Harris, S.F, Eigenbrot, C.
Deposit date:2020-01-28
Release date:2021-02-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12
To Be Published
8VR9
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BU of 8vr9 by Molmil
Structure of a synthetic antibody in complex with a class I MHC presenting a hapten-peptide conjugate
Descriptor: AMG 510 (bound form), Beta-2-microglobulin, GTPase KRas, ...
Authors:Maso, L, Bang, I, Koide, S.
Deposit date:2024-01-20
Release date:2024-09-04
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Molecular basis for antibody recognition of multiple drug-peptide/MHC complexes.
Proc.Natl.Acad.Sci.USA, 121, 2024
6VN2
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BU of 6vn2 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 18
Descriptor: 1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione, ACETATE ION, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
Deposit date:2020-01-29
Release date:2020-04-29
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
8VBJ
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BU of 8vbj by Molmil
Structure of bovine anti-HIV Fab ElsE2
Descriptor: Bovine Fab ElsE2 heavy chain, Bovine Fab ElsE2 light chain, POTASSIUM ION, ...
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2023-12-12
Release date:2024-09-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Immunization of cows with HIV envelope trimers generates broadly neutralizing antibodies to the V2-apex from the ultralong CDRH3 repertoire.
Plos Pathog., 20, 2024
8VES
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BU of 8ves by Molmil
Structure of YicC endoribonuclease bound to an RNA substrate
Descriptor: Endoribonuclease YicC, RNA (26-MER)
Authors:Wu, R, Lazarus, M.B.
Deposit date:2023-12-20
Release date:2024-09-04
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Structural insights into RNA cleavage by a novel family of bacterial RNases.
Nucleic Acids Res., 52, 2024
5IMX
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BU of 5imx by Molmil
Anaplastic lymphoma kinase (ALK) catalytic domain complexed with novel inhibitor 3-sulfonylpyrazol-4-amino pyrimidine
Descriptor: 5-chloro-N~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1H-pyrazol-4-yl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
Authors:Wang, C, Zhang, P, Dong, J.
Deposit date:2016-03-07
Release date:2016-05-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
8VER
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BU of 8ver by Molmil
Structure of YicC endoribonuclease
Descriptor: Endoribonuclease YicC, SULFATE ION
Authors:Dahlin, H.R, Khamrui, S, Lazarus, M.B.
Deposit date:2023-12-20
Release date:2024-09-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into RNA cleavage by a novel family of bacterial RNases.
Nucleic Acids Res., 52, 2024
7LKB
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BU of 7lkb by Molmil
Crystal structure of PfCSP peptide 21 with vaccine-elicited human anti-malaria antibody m42.127
Descriptor: Circumsporozoite protein, SULFATE ION, m42.127 Fab heavy Chain, ...
Authors:Xu, K, Kwong, P.D.
Deposit date:2021-02-02
Release date:2021-12-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Vaccination in a humanized mouse model elicits highly protective PfCSP-targeting anti-malarial antibodies.
Immunity, 54, 2021
6VQF
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BU of 6vqf by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244- 487)-L6-SRC1(678-692)) IN COMPLEX WITH AN INVERSE AGONIST
Descriptor: (1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid, GLYCEROL, Nuclear receptor ROR-gamma
Authors:Sack, J.S.
Deposit date:2020-02-05
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of BMS-986251: A Clinically Viable, Potent, and Selective ROR gamma t Inverse Agonist.
Acs Med.Chem.Lett., 11, 2020
6VP2
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BU of 6vp2 by Molmil
Artificial Metalloproteins with Dinuclear Iron Centers
Descriptor: ACETATE ION, AZIDE ION, Streptavidin, ...
Authors:Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S.
Deposit date:2020-02-01
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers.
J.Am.Chem.Soc., 143, 2021
8VBN
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BU of 8vbn by Molmil
Structure of bovine anti-HIV Fab ElsE8
Descriptor: Bovine Fab ElsE8 heavy chain, Bovine Fab ElsE8 light chain
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2023-12-12
Release date:2024-09-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Immunization of cows with HIV envelope trimers generates broadly neutralizing antibodies to the V2-apex from the ultralong CDRH3 repertoire.
Plos Pathog., 20, 2024
5ICE
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BU of 5ice by Molmil
Crystal structure of (S)-norcoclaurine 6-O-methyltransferase with S-adenosyl-L-homocysteine and norlaudanosoline
Descriptor: (1S)-1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol, (S)-norcoclaurine 6-O-methyltransferase, 1,2-ETHANEDIOL, ...
Authors:Robin, A.Y, Graindorge, M, Giustini, C, Dumas, R, Matringe, M.
Deposit date:2016-02-23
Release date:2016-06-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of norcoclaurine-6-O-methyltransferase, a key rate-limiting step in the synthesis of benzylisoquinoline alkaloids.
Plant J., 87, 2016
7LR4
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BU of 7lr4 by Molmil
Complex of Fab 2/1.12 with domain 3 of P. berghei HAP2
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, D3_2/1.12 Fab heavy chain, D3_2/1.12 Fab light chain, ...
Authors:Feng, J, Dong, X.C, Su, Y, Lu, X.F, Springer, T.A.
Deposit date:2021-02-15
Release date:2021-12-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of malaria transmission blockade by a monoclonal antibody to gamete fusogen HAP2.
Elife, 10, 2021
8VRA
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BU of 8vra by Molmil
Structure of a synthetic antibody in complex with a class I MHC presenting a hapten-peptide conjugate
Descriptor: AMG 510 (bound form), Beta-2-microglobulin, GTPase KRas, ...
Authors:Maso, L, Bang, I, Koide, S.
Deposit date:2024-01-20
Release date:2024-09-04
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Molecular basis for antibody recognition of multiple drug-peptide/MHC complexes.
Proc.Natl.Acad.Sci.USA, 121, 2024
5ICL
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BU of 5icl by Molmil
Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with lipoyl-AMP
Descriptor: 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, Lipoate--protein ligase
Authors:Hughes, S.J, Antoshchenko, T, Song, J.H, Park, H.W.
Deposit date:2016-02-23
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with lipoyl-AMP
To Be Published
6VPD
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BU of 6vpd by Molmil
Crystal structure of Trgpx in apo form
Descriptor: Glutathione peroxidase
Authors:Adriani, P.P, De Oliveira, G.S, Paiva, F.C.R, Dias, M.V.B, Chambergo, F.S.
Deposit date:2020-02-03
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Structural and functional characterization of the glutathione peroxidase-like thioredoxin peroxidase from the fungus Trichoderma reesei.
Int.J.Biol.Macromol., 167, 2020
7LKY
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BU of 7lky by Molmil
Crystal Structure of PHF1 Tudor domain in complex with a peptidomimetic ligand UNC6641
Descriptor: DIMETHYL SULFOXIDE, Isoform 1 of PHD finger protein 1, Peptidomimetic inhibitor UNC6641, ...
Authors:Liu, J, Kutateladze, T.G.
Deposit date:2021-02-03
Release date:2021-12-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of an H3K36me3-Derived Peptidomimetic Ligand with Enhanced Affinity for Plant Homeodomain Finger Protein 1 (PHF1).
J.Med.Chem., 64, 2021
6VPI
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BU of 6vpi by Molmil
TPX2 residues 7-20 fused to Aurora A residues 116-389 C247V + D256N + C319V triple mutant disulfide homodimer in complex with AMP-PNP
Descriptor: MAGNESIUM ION, MALONIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2020-02-03
Release date:2020-08-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Redox priming promotes Aurora A activation during mitosis.
Sci.Signal., 13, 2020
8VH8
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BU of 8vh8 by Molmil
Crystal structure of heparosan synthase 2 from Pasteurella multocida at 2.85 A
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Pedersen, L.C, Liu, J, Stancanelli, E, krahn, J.M.
Deposit date:2023-12-31
Release date:2024-09-04
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural and Functional Analysis of Heparosan Synthase 2 from Pasteurella multocida (PmHS2) to Improve the Synthesis of Heparin.
Acs Catalysis, 14, 2024
5ID0
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BU of 5id0 by Molmil
Cetuximab Fab in complex with aminoheptanoic acid-linked meditope
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cetuximab Fab heavy chain, Cetuximab Fab light chain, ...
Authors:Bzymek, K.P, Williams, J.C.
Deposit date:2016-02-23
Release date:2016-06-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5URN
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BU of 5urn by Molmil
NMR structure of the complex between the PH domain of the Tfb1 subunit from TFIIH and the transactivation domain 1 of p65
Descriptor: RNA polymerase II transcription factor B subunit 1, Transcription factor p65
Authors:Lecoq, L, Omichinski, J.G, Raiola, L, Cyr, N, Chabot, P, Arseneault, G, Legault, P.
Deposit date:2017-02-11
Release date:2017-03-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural characterization of interactions between transactivation domain 1 of the p65 subunit of NF-kappa B and transcription regulatory factors.
Nucleic Acids Res., 45, 2017
8VRC
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BU of 8vrc by Molmil
Tetrahymena thermophila MLP1 RRM domain
Descriptor: LA motif RNA-binding domain protein
Authors:Donaldson, L.W.
Deposit date:2024-01-21
Release date:2024-09-04
Method:SOLUTION NMR
Cite:NMR structure of the second RNA binding domain from Tetrahymena thermophila Mlp1
To Be Published

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PDB entries from 2025-10-22

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