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1VSJ
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BU of 1vsj by Molmil
ASV INTEGRASE CORE DOMAIN WITH CD(II) COFACTORS
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, INTEGRASE
Authors:Bujacz, G, Alexandratos, J, Wlodawer, A.
Deposit date:1997-03-04
Release date:1997-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Binding of different divalent cations to the active site of avian sarcoma virus integrase and their effects on enzymatic activity.
J.Biol.Chem., 272, 1997
8HQH
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BU of 8hqh by Molmil
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with inhibitor YH-53
Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Zou, X.F, Zhang, J, Li, J.
Deposit date:2022-12-13
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with inhibitor YH-53
To Be Published
8HQI
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BU of 8hqi by Molmil
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with inhibitor YH-53
Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Li, W.W, Zhang, J, Li, J.
Deposit date:2022-12-13
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with inhibitor YH-53
To Be Published
8HQL
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BU of 8hql by Molmil
Crystal structure of mouse SNX25 PX domain
Descriptor: ACETIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Yu, Z, Xu, J, Liu, J.
Deposit date:2022-12-13
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of mouse SNX25 PX domain
To Be Published
8HTI
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BU of 8hti by Molmil
Human Consensus Olfactory Receptor OR52c in Complex with Octanoic Acid (OCA) and G Protein
Descriptor: Consensus Olfactory Receptor OR52c, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Choi, C.W, Bae, J, Choi, H.-J, Kim, J.
Deposit date:2022-12-21
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Understanding the molecular mechanisms of odorant binding and activation of the human OR52 family.
Nat Commun, 14, 2023
8HVT
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BU of 8hvt by Molmil
Structure of the human CLC-7/Ostm1 complex reveals a novel state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, H(+)/Cl(-) exchange transporter 7, Osteopetrosis-associated transmembrane protein 1, ...
Authors:Zhang, Z.X, Chen, L, He, J, She, J.
Deposit date:2022-12-27
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of the human CLC-7/Ostm1 complex reveals a novel state
To Be Published
8HVK
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BU of 8hvk by Molmil
Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF07321332
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Zeng, P, Zhang, J, Li, J.
Deposit date:2022-12-27
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF07321332
To Be Published
8HVO
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BU of 8hvo by Molmil
Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF07321332
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Zou, X.F, Zhang, J, Li, J.
Deposit date:2022-12-27
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF07321332
To Be Published
8WY4
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BU of 8wy4 by Molmil
GajA tetramer with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Endonuclease GajA
Authors:Li, J, Wang, Z, Wang, L.
Deposit date:2023-10-30
Release date:2024-02-28
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8HVN
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BU of 8hvn by Molmil
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF07321332
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Li, W.W, Zhang, J, Li, J.
Deposit date:2022-12-27
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF07321332
To Be Published
8HVL
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BU of 8hvl by Molmil
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF07321332
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Zou, X.F, Zhang, J, Li, J.
Deposit date:2022-12-27
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF07321332
To Be Published
6R3S
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BU of 6r3s by Molmil
CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH COMPOUND 1
Descriptor: 1,2-ETHANEDIOL, 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide, Cyclin-C, ...
Authors:Boettcher, J.
Deposit date:2019-03-21
Release date:2020-04-08
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance.
Mol.Cancer Ther., 19, 2020
8X51
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BU of 8x51 by Molmil
Cryo-EM structure of Gabija GajA in complex with DNA(focused refinement)
Descriptor: CALCIUM ION, DNA (5'-D(*AP*AP*AP*AP*AP*TP*AP*AP*CP*CP*GP*GP*GP*TP*TP*AP*TP*TP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*AP*TP*AP*AP*CP*CP*CP*GP*GP*TP*TP*AP*TP*TP*TP*TP*T)-3'), ...
Authors:Li, J, Wang, Z, Wang, L.
Deposit date:2023-11-16
Release date:2024-02-28
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8X5I
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BU of 8x5i by Molmil
tetramer Gabija with ATP (local refinement)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Endonuclease GajA, MAGNESIUM ION
Authors:Li, J, Wang, Z, Wang, L.
Deposit date:2023-11-17
Release date:2024-02-28
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
4FAP
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BU of 4fap by Molmil
ATOMIC STRUCTURES OF THE RAPAMYCIN ANALOGS IN COMPLEX WITH BOTH HUMAN FKBP12 AND FRB DOMAIN OF FRAP
Descriptor: C15-(R)-METHYLTHIENYL RAPAMYCIN, FK506-BINDING PROTEIN, FKBP12-RAPAMYCIN ASSOCIATED PROTEIN
Authors:Liang, J, Clardy, J.
Deposit date:1999-05-06
Release date:2000-09-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Refined structure of the FKBP12-rapamycin-FRB ternary complex at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
8WY5
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BU of 8wy5 by Molmil
Structure of Gabija GajA in complex with DNA
Descriptor: CALCIUM ION, DNA (5'-D(P*AP*AP*AP*AP*TP*AP*AP*CP*CP*GP*GP*GP*TP*TP*AP*TP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*AP*TP*AP*AP*CP*CP*CP*GP*GP*TP*TP*AP*TP*TP*TP*T)-3'), ...
Authors:Li, J, Wang, Z, Wang, L.
Deposit date:2023-10-30
Release date:2024-02-28
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8HQF
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BU of 8hqf by Molmil
Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with inhibitor YH-53
Descriptor: N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, Non-structural protein 7
Authors:Zeng, P, Zhang, J, Li, J.
Deposit date:2022-12-13
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with inhibitor YH-53
To Be Published
8X5N
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BU of 8x5n by Molmil
Tetramer Gabija with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Endonuclease GajA, Gabija protein GajB, ...
Authors:Li, J, Wang, Z, Wang, L.
Deposit date:2023-11-17
Release date:2024-02-28
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
6R61
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BU of 6r61 by Molmil
Major aspartyl peptidase 1 from C. neoformans in complex with Inhibitor LP258
Descriptor: (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5,10-trione, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Krystufek, R, Sacha, P, Brynda, J, Konvalinka, J.
Deposit date:2019-03-26
Release date:2021-04-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Major aspartyl peptidase 1 from C. neoformans in complex with Inhibitor LP258
To Be Published
8HFE
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BU of 8hfe by Molmil
Cryo-EM structure of human norepinephrine transporter NET in an inward-open state at resolution of 2.5 angstrom
Descriptor: CHLORIDE ION, Sodium-dependent noradrenaline transporter
Authors:Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C.
Deposit date:2022-11-10
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Molecular basis for the reuptake and inhibition of human norepinephrine transporter
To Be Published
8HFL
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BU of 8hfl by Molmil
Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant bupropion in an inward-open state at resolution of 3.0 angstrom.
Descriptor: Bupropion, CHLORIDE ION, Sodium-dependent noradrenaline transporter
Authors:Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C.
Deposit date:2022-11-11
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular basis for the reuptake and inhibition of human norepinephrine transporter
To Be Published
8HFI
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BU of 8hfi by Molmil
Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant desipramine in an inward-open state at resolution of 2.5 angstrom.
Descriptor: 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, CHLORIDE ION, Sodium-dependent noradrenaline transporter
Authors:Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C.
Deposit date:2022-11-10
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Molecular basis for the reuptake and inhibition of human norepinephrine transporter
To Be Published
8VZ9
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BU of 8vz9 by Molmil
Crystal structure of mouse MAIT M2A TCR-MR1-5-OP-RU complex
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
Authors:Ciacchi, L, Rossjohn, J, Awad, W.
Deposit date:2024-02-11
Release date:2024-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Mouse mucosal-associated invariant T cell receptor recognition of MR1 presenting the vitamin B metabolite, 5-(2-oxopropylideneamino)-6-d-ribitylaminouracil.
J.Biol.Chem., 300, 2024
8HFG
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BU of 8hfg by Molmil
Cryo-EM structure of human norepinephrine transporter NET in the presence of dopamine in an inward-open state at resolution of 3.0 angstrom.
Descriptor: CHLORIDE ION, L-DOPAMINE, Sodium-dependent noradrenaline transporter
Authors:Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C.
Deposit date:2022-11-10
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular basis for the reuptake and inhibition of human norepinephrine transporter
To Be Published
8HFF
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BU of 8hff by Molmil
Cryo-EM structure of human norepinephrine transporter NET in the presence of norepinephrine in an inward-open state at resolution of 2.9 angstrom.
Descriptor: L-NOREPINEPHRINE, Sodium-dependent noradrenaline transporter
Authors:Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C.
Deposit date:2022-11-10
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Molecular basis for the reuptake and inhibition of human norepinephrine transporter
To Be Published

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