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8I2N
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BU of 8i2n by Molmil
The RIPK1 kinase domain in complex with QY7-2B compound
Descriptor: Receptor-interacting serine/threonine-protein kinase 1, ~{N}-methyl-1-[4-[[[1-methyl-5-(phenylmethyl)pyrazol-3-yl]carbonylamino]methyl]phenyl]benzimidazole-5-carboxamide
Authors:Gong, X.Y, Li, Y, Meng, H.Y, Pan, L.F.
Deposit date:2023-01-14
Release date:2024-01-31
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structure-based development of potent and selective type-II kinase inhibitors of RIPK1.
Acta Pharm Sin B, 14, 2024
7W3D
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BU of 7w3d by Molmil
Crystal structure of BRD4 bromodomain 1 (BD1) in complex with N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine
Descriptor: Bromodomain-containing protein 4, N2-(1,2,3-benzotriazol-5-yl)-N3-(dimethylsulfamoyl)-N6-[(2S)-1-methoxypropan-2-yl]pyridine-2,3,6-triamine
Authors:Park, T.H, Lee, B.I.
Deposit date:2021-11-25
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of BET specific bromodomain inhibitors with a novel scaffold.
Bioorg.Med.Chem., 72, 2022
6C80
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BU of 6c80 by Molmil
Crystal structure of a flax cytokinin oxidase
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Wan, L, Williams, S, Kobe, B.
Deposit date:2018-01-23
Release date:2018-06-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural and functional insights into the modulation of the activity of a flax cytokinin oxidase by flax rust effector AvrL567-A.
Mol. Plant Pathol., 20, 2019
9FC3
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BU of 9fc3 by Molmil
HEN EGG-WHITE Lysozyme incubated at 99% relative humidity
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Reinke, P.Y.A, Guenther, S, Falke, S, Galchenkova, M, Rahmani Mashhour, A, Creon, A, Lieske, J, Ewert, W, Rorigues, A.C, Thekku Veedu, S, Fischer, P, Meents, A.
Deposit date:2024-05-15
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:HEN EGG-WHITE Lysozyme incubated at 96% relative humidity
To Be Published
5FZJ
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BU of 5fzj by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
Descriptor: 2,6-DIMETHYL-4H-PYRANO[3,4-D][1,3]OXAZOL-4-ONE, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
Authors:Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
Deposit date:2016-03-14
Release date:2016-04-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
9FC9
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BU of 9fc9 by Molmil
HEN EGG-WHITE Lysozyme incubated at 50% relative humidity
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Reinke, P.Y.A, Guenther, S, Falke, S, Galchenkova, M, Rahmani Mashhour, A, Creon, A, Lieske, J, Ewert, W, Rorigues, A.C, Thekku Veedu, S, Fischer, P, Meents, A.
Deposit date:2024-05-15
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Exploring the conformational space of proteins by systematic variation of the relative humidity
To Be Published
9FCA
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BU of 9fca by Molmil
HEN EGG-WHITE Lysozyme incubated at 40% relative humidity
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Reinke, P.Y.A, Guenther, S, Falke, S, Galchenkova, M, Rahmani Mashhour, A, Creon, A, Lieske, J, Ewert, W, Rorigues, A.C, Thekku Veedu, S, Fischer, P, Meents, A.
Deposit date:2024-05-15
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Exploring the conformational space of proteins by systematic variation of the relative humidity
To Be Published
8WEA
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BU of 8wea by Molmil
Human L-type voltage-gated calcium channel Cav1.2 (Class II) in the presence of pinaverium at 3.2 Angstrom resolution
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:Gao, S, Yao, X, Fan, X, Yan, N.
Deposit date:2023-09-17
Release date:2023-12-06
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for human Ca v 1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Cell, 186, 2023
9FCC
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BU of 9fcc by Molmil
HEN EGG-WHITE Lysozyme incubated at 80% relative humidity
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Reinke, P.Y.A, Guenther, S, Falke, S, Galchenkova, M, Rahmani Mashhour, A, Creon, A, Lieske, J, Ewert, W, Rorigues, A.C, Thekku Veedu, S, Fischer, P, Meents, A.
Deposit date:2024-05-15
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Exploring the conformational space of proteins by systematic variation of the relative humidity
To Be Published
8S2E
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BU of 8s2e by Molmil
Fab4251-DS-SOSIP complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:Nortier, P, Perez, L.
Deposit date:2024-02-17
Release date:2024-07-03
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:RAIN: a Machine Learning-based identification for HIV-1 bNAbs.
Res Sq, 2024
9FC8
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BU of 9fc8 by Molmil
HEN EGG-WHITE Lysozyme incubated at 60% relative humidity
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Reinke, P.Y.A, Guenther, S, Falke, S, Galchenkova, M, Rahmani Mashhour, A, Creon, A, Lieske, J, Ewert, W, Rorigues, A.C, Thekku Veedu, S, Fischer, P, Meents, A.
Deposit date:2024-05-15
Release date:2025-05-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Exploring the conformational space of proteins by systematic variation of the relative humidity
To Be Published
4ZCW
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BU of 4zcw by Molmil
Structure of Human Enolase 2 in complex with SF2312
Descriptor: Gamma-enolase, MAGNESIUM ION, [(3S,5S)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid
Authors:Leonard, P.G, Maxwell, D, Czako, B, Muller, F.L.
Deposit date:2015-04-16
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:SF2312 is a natural phosphonate inhibitor of enolase.
Nat.Chem.Biol., 12, 2016
6C6Q
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BU of 6c6q by Molmil
Crystal Structure of the Murine Norovirus VP1 P Domain in complex with the CD300lf Receptor
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CMRF35-like molecule 1, ...
Authors:Nelson, C.A, Fremont, D.H.
Deposit date:2018-01-19
Release date:2018-09-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for murine norovirus engagement of bile acids and the CD300lf receptor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BV8
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BU of 6bv8 by Molmil
Structure of proteinaceous RNase P 1 (PRORP1) from A. thaliana complexed with Mn after 3-hour soak with juglone
Descriptor: 5-hydroxynaphthalene-1,4-dione, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Karasik, A, Wu, N, Fierke, C.A, Koutmos, M.
Deposit date:2017-12-12
Release date:2019-06-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of protein-only RNase P with Gambogic acid and Juglone
To Be Published
2IDO
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BU of 2ido by Molmil
Structure of the E. coli Pol III epsilon-Hot proofreading complex
Descriptor: 1,2-ETHANEDIOL, DNA polymerase III epsilon subunit, Hot protein, ...
Authors:Kirby, T.W, Harvey, S, DeRose, E.F, Chalov, S, Chikova, A.K, Perrino, F.W, Schaaper, R.M, London, R.E, Pedersen, L.C.
Deposit date:2006-09-15
Release date:2006-11-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the Escherichia coli DNA polymerase III epsilon-HOT proofreading complex.
J.Biol.Chem., 281, 2006
6IDW
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BU of 6idw by Molmil
GH6 Orpinomyces sp. Y102 enzyme
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Tsai, L.C, Huang, H.C.
Deposit date:2018-09-11
Release date:2018-10-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Crystal structures of the GH6 Orpinomyces sp. Y102 CelC7 enzyme with exo and endo activity and its complex with cellobiose.
Acta Crystallogr D Struct Biol, 75, 2019
7AJF
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BU of 7ajf by Molmil
bovine ATP synthase dimer state2:state2
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ATP synthase F(0) complex subunit B1, mitochondrial, ...
Authors:Spikes, T.E, Montgomery, M.G, Walker, J.E.
Deposit date:2020-09-29
Release date:2021-02-03
Last modified:2025-04-09
Method:ELECTRON MICROSCOPY (8.45 Å)
Cite:Interface mobility between monomers in dimeric bovine ATP synthase participates in the ultrastructure of inner mitochondrial membranes.
Proc.Natl.Acad.Sci.USA, 118, 2021
5CLY
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BU of 5cly by Molmil
X-ray structure of TTR mutant - S52P at 1.23A resolution
Descriptor: GLYCEROL, Transthyretin
Authors:Yee, A.W, Moulin, M, Mossou, E, Haertlein, M, Mitchell, E.P, Cooper, J.B, Forsyth, V.T.
Deposit date:2015-07-16
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:X-ray structure of TTR mutant - S52P at 1.23A resolution
To Be Published
7UFJ
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BU of 7ufj by Molmil
Structure of human MR1-ethylvanillin in complex with human MAIT A-F7 TCR
Descriptor: 3-ethoxy-4-hydroxybenzaldehyde, ACETATE ION, Beta-2-microglobulin, ...
Authors:Wang, C.J, Rossjohn, J, Le Nours, J.
Deposit date:2022-03-22
Release date:2022-12-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Quantitative affinity measurement of small molecule ligand binding to Major Histocompatibility Complex class-I related protein 1 MR1.
J.Biol.Chem., 298, 2022
8ZWP
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BU of 8zwp by Molmil
Structure-Based Mechanism and Specificity of Human Galactosyltransferase B3GalT5
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lo, J.M, Ma, C.
Deposit date:2024-06-13
Release date:2025-04-09
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure-Based Mechanism and Specificity of Human Galactosyltransferase beta 3GalT5.
J.Am.Chem.Soc., 147, 2025
8ZWW
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BU of 8zww by Molmil
Structure-Based Mechanism and Specificity of Human Galactosyltransferase B3GalT5
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lo, J.M, Ma, C.
Deposit date:2024-06-13
Release date:2025-04-09
Last modified:2025-04-16
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure-Based Mechanism and Specificity of Human Galactosyltransferase beta 3GalT5.
J.Am.Chem.Soc., 147, 2025
4ZKO
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BU of 4zko by Molmil
The crystal structure of upain-1-W3A in complex with uPA at pH7.4
Descriptor: C-terminal fragment of upain-1-W3A, HEXAETHYLENE GLYCOL, N-terminal fragment of upain-1-W3A, ...
Authors:Jiang, L, Andreasen, P.A, Huang, M.
Deposit date:2015-04-30
Release date:2016-05-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:The crystal structure of mupain-1-IG in complex with murinised human uPA at pH7.4
To Be Published
7YG5
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BU of 7yg5 by Molmil
Structure of human R-type voltage-gated CaV2.3-alpha2/delta1-beta1 channel complex in the topiramate-bound state
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Gao, Y, Zhao, Y.
Deposit date:2022-07-11
Release date:2023-11-29
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into the allosteric effects of the antiepileptic drug topiramate on the Ca V 2.3 channel.
Biochem.Biophys.Res.Commun., 725, 2024
8BEL
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BU of 8bel by Molmil
Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (CIII membrane domain)
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ...
Authors:Klusch, N, Kuehlbrandt, W.
Deposit date:2022-10-21
Release date:2023-01-11
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (2.25 Å)
Cite:Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution.
Nat.Plants, 9, 2023
8BEH
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BU of 8beh by Molmil
Cryo-EM structure of the Arabidopsis thaliana I+III2 supercomplex (CI membrane tip)
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, ...
Authors:Klusch, N, Kuehlbrandt, W.
Deposit date:2022-10-21
Release date:2023-01-11
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.29 Å)
Cite:Cryo-EM structure of the respiratory I + III 2 supercomplex from Arabidopsis thaliana at 2 angstrom resolution.
Nat.Plants, 9, 2023

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数据于2025-10-01公开中

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