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8HAI
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BU of 8hai by Molmil
Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 1 (4.7 angstrom resolution)
Descriptor: DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T.
Deposit date:2022-10-26
Release date:2023-05-17
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
6TFX
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BU of 6tfx by Molmil
Structure in P21 form of the PBP/SBP MoaA in complex with mannopinic acid from A.tumefacien R10
Descriptor: (2~{R})-2-[[(3~{R},4~{R},5~{S})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid, 1,2-ETHANEDIOL, ABC transporter substrate-binding protein, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2019-11-14
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Import pathways of the mannityl-opines into the bacterial pathogen Agrobacterium tumefaciens: structural, affinity and in vivo approaches.
Biochem.J., 477, 2020
7VKG
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BU of 7vkg by Molmil
Crystal structure of AF9 YEATS domain in complex with Compound 10
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Protein AF-9, ...
Authors:Liu, Y, Ruan, K.
Deposit date:2021-09-29
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
9F7K
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BU of 9f7k by Molmil
Glutathione transferase epsilon 1 from Drosophila melanogaster in complex with glutathione
Descriptor: GH14654p, GLUTATHIONE, GLYCEROL, ...
Authors:Didierjean, C, Schwartz, M, Neiers, F.
Deposit date:2024-05-03
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Thermodynamic Insights into Dimerization Interfaces of Drosophila Glutathione Transferases.
Biomolecules, 14, 2024
5J4V
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BU of 5j4v by Molmil
The crystal structure of Inhibitor Bound to JCV Helicase
Descriptor: 2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, ...
Authors:Ter Haar, E.
Deposit date:2016-04-01
Release date:2016-07-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
5HJX
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BU of 5hjx by Molmil
Structure function studies of R. palustris RubisCO (A47V mutant; CABP-bound)
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
Authors:Arbing, M.A, Shin, A, Satagopan, S, North, J.A, Tabita, F.R.
Deposit date:2016-01-13
Release date:2017-01-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Structure function studies of R. palustris RubisCO.
To Be Published
5YR9
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BU of 5yr9 by Molmil
Crystal Structure of Cypovirus Polyhedra R13A/E73C/Y83C Mutant
Descriptor: 1,2-ETHANEDIOL, Polyhedrin
Authors:Negishi, H, Abe, S, Yamashita, K, Hirata, K, Niwase, K, Boudes, M, Coulibaly, F, Mori, H, Ueno, T.
Deposit date:2017-11-08
Release date:2018-02-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Supramolecular protein cages constructed from a crystalline protein matrix
Chem. Commun. (Camb.), 54, 2018
5JDN
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BU of 5jdn by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 10 mM Na+ and 10mM Sr2+
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PENTADECANE, PENTAETHYLENE GLYCOL, ...
Authors:Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
Deposit date:2016-04-17
Release date:2016-05-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
7XTV
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BU of 7xtv by Molmil
The structure of MHET-bound TfCut S130A
Descriptor: 4-(2-hydroxyethyloxycarbonyl)benzoic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
Deposit date:2022-05-18
Release date:2023-03-29
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
9KNG
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BU of 9kng by Molmil
Crystal structure of human ERRg LBD in complex with 4034496
Descriptor: 6-methyl-1,3-benzothiazole-2,4-diamine, Estrogen-related receptor gamma, Nuclear receptor-interacting protein 1
Authors:Xu, T, Wang, N, Liu, J.
Deposit date:2024-11-18
Release date:2025-04-16
Last modified:2025-09-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of indoles as potential endogenous ligands of ERR gamma and their modulation on drug binding.
Acta Pharmacol.Sin., 46, 2025
1LN1
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BU of 1ln1 by Molmil
Crystal Structure of Human Phosphatidylcholine Transfer Protein in Complex with Dilinoleoylphosphatidylcholine
Descriptor: 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Phosphatidylcholine transfer protein
Authors:Roderick, S.L, Chan, W.W, Agate, D.S, Olsen, L.R, Vetting, M.W, Rajashankar, K.R, Cohen, D.E.
Deposit date:2002-05-02
Release date:2002-06-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human phosphatidylcholine transfer protein in complex with its ligand.
Nat.Struct.Biol., 9, 2002
7XTR
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BU of 7xtr by Molmil
The apo structure of the engineered TfCut
Descriptor: GLYCEROL, LITHIUM ION, SULFATE ION, ...
Authors:Yang, Y, Jiang, P.C, Huang, J.-W, Chen, C.-C, Guo, R.-T.
Deposit date:2022-05-18
Release date:2023-03-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Complete bio-degradation of poly(butylene adipate-co-terephthalate) via engineered cutinases.
Nat Commun, 14, 2023
6RBQ
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BU of 6rbq by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an adenine derivative
Descriptor: CITRIC ACID, NAD kinase 1, ~{S}-[4-(6-aminopurin-9-yl)butyl] ethanethioate
Authors:Gelin, M, Labesse, G.
Deposit date:2019-04-11
Release date:2020-02-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.236 Å)
Cite:From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
8XQS
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BU of 8xqs by Molmil
Structure of human class T GPCR TAS2R14-DNGi complex with Flufenamic acid.
Descriptor: 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, CHOLESTEROL, Exo-alpha-sialidase,Taste receptor type 2 member 14,LgBiT, ...
Authors:Hu, X.L, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2024-01-05
Release date:2024-07-10
Last modified:2025-07-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Bitter taste TAS2R14 activation by intracellular tastants and cholesterol.
Nature, 631, 2024
5ACZ
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BU of 5acz by Molmil
COMPLEX OF A B21 CHICKEN MHC CLASS I MOLECULE AND A 11MER CHICKEN PEPTIDE
Descriptor: 1,2-ETHANEDIOL, 11MER PEPTIDE, BETA-2-MICROGLOBULIN, ...
Authors:Chappell, P.E, Roversi, P, Harrison, M.C, Kaufman, J.F, Lea, S.M.
Deposit date:2015-08-19
Release date:2016-09-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Complex of a B21 Chicken Mhc Class I Molecule and a 11mer Chicken Peptide
To be Published
7QGS
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BU of 7qgs by Molmil
Crystal structure of p300 CH1 domain in complex with CITIF (a CITED2-HIF-1alpha hybrid)
Descriptor: Cbp/p300-interacting transactivator 2,Hypoxia-inducible factor 1-alpha, Histone acetyltransferase, ZINC ION
Authors:Hegedus, Z, Wilson, A.J, Edwards, T.A.
Deposit date:2021-12-10
Release date:2022-05-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Understanding p300-transcription factor interactions using sequence variation and hybridization.
Rsc Chem Biol, 3, 2022
9IP4
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BU of 9ip4 by Molmil
Cryo-EM structure of the RNA-dependent RNA polymerase complex from Marburg virus
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Polymerase cofactor VP35, RNA-directed RNA polymerase L,Maltose/maltodextrin-binding periplasmic protein, ZINC ION
Authors:Li, G, Du, T, Wang, J, Wu, S, Ru, H.
Deposit date:2024-07-10
Release date:2025-04-09
Last modified:2025-04-16
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Structural insights into the RNA-dependent RNA polymerase complexes from highly pathogenic Marburg and Ebola viruses.
Nat Commun, 16, 2025
6RD7
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BU of 6rd7 by Molmil
CryoEM structure of Polytomella F-ATP synthase, c-ring position 1, focussed refinement of Fo and peripheral stalk
Descriptor: ASA-10: Polytomella F-ATP synthase associated subunit 10, ASA-9: Polytomella F-ATP synthase associated subunit 9, ATP synthase associated protein ASA1, ...
Authors:Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W.
Deposit date:2019-04-12
Release date:2019-07-03
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019
9CD1
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BU of 9cd1 by Molmil
Crystal structure of the Klebsiella pneumoniae LpxH / JH-LPH-107 complex
Descriptor: MANGANESE (II) ION, N-(4-{4-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]piperazine-1-sulfonyl}phenyl)-2-[(methanesulfonyl)(methyl)amino]benzamide, UDP-2,3-diacylglucosamine hydrolase
Authors:Cochrane, C.S, Zhou, P.
Deposit date:2024-06-23
Release date:2025-02-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Evaluation of Pyridinyl Sulfonyl Piperazine LpxH Inhibitors with Potent Antibiotic Activity Against Enterobacterales.
Jacs Au, 4, 2024
6RDU
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BU of 6rdu by Molmil
Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 1E, monomer-masked refinement
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ...
Authors:Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W.
Deposit date:2019-04-12
Release date:2019-07-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019
6I0X
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BU of 6i0x by Molmil
Porphyromonas gingivalis peptidylarginine deminase (PPAD) mutant G231N/E232T/N235D in complex with Cl-amidine.
Descriptor: GLYCEROL, N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE, Peptidylarginine deiminase, ...
Authors:Gomis-Ruth, F.X, Goulas, T, Sola, M, Potempa, J.
Deposit date:2018-10-26
Release date:2019-01-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure, function, and inhibition of a genomic/clinical variant of Porphyromonas gingivalis peptidylarginine deiminase.
Protein Sci., 28, 2019
4TLR
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BU of 4tlr by Molmil
NS5b in complex with lactam-thiophene carboxylic acids
Descriptor: 3-{(2R,5R)-5-cyclohexyl-2-[(2R)-2-hydroxypropyl]-3-oxomorpholin-4-yl}-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylic acid, 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, NS5b
Authors:Chopra, R.
Deposit date:2014-05-30
Release date:2014-12-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
6O9T
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BU of 6o9t by Molmil
KirBac3.1 mutant at a resolution of 4.1 Angstroms
Descriptor: 2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione, Inward rectifier potassium channel Kirbac3.1, POTASSIUM ION
Authors:Gulbis, J.M, Black, K.A, Miller, D.M.
Deposit date:2019-03-15
Release date:2020-05-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (4.01 Å)
Cite:A constricted opening in Kir channels does not impede potassium conduction.
Nat Commun, 11, 2020
6REC
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BU of 6rec by Molmil
Cryo-EM structure of Polytomella F-ATP synthase, Rotary substate 3A, monomer-masked refinement
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ASA-10: Polytomella F-ATP synthase associated subunit 10, ...
Authors:Murphy, B.J, Klusch, N, Yildiz, O, Kuhlbrandt, W.
Deposit date:2019-04-12
Release date:2019-07-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Rotary substates of mitochondrial ATP synthase reveal the basis of flexible F 1 -F o coupling.
Science, 364, 2019
8DPD
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BU of 8dpd by Molmil
superfolder GFP Tyr74pCNPhe mutant
Descriptor: 1,2-ETHANEDIOL, CARBON DIOXIDE, DI(HYDROXYETHYL)ETHER, ...
Authors:Phillips-Piro, C.M, Papoutsis, B, Piacentini, J.
Deposit date:2022-07-15
Release date:2022-08-31
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Superfolder GFP Tyr74pCNPhe mutant
To Be Published

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