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8ETM
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BU of 8etm by Molmil
Human triacylglycerol synthesizing enzyme DGAT1 in complex with DGAT1IN1 inhibitor
Descriptor: Diacylglycerol O-acyltransferase 1, [(1S,4r)-4-{4-[(4S)-2-({[4-(trifluoromethoxy)phenyl]methyl}carbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl}cyclohexyl]acetic acid
Authors:Sui, X, Kun, W, Walther, T, Farese, R, Liao, M.
Deposit date:2022-10-17
Release date:2023-06-07
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of action for small-molecule inhibitors of triacylglycerol synthesis.
Nat Commun, 14, 2023
3IV2
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BU of 3iv2 by Molmil
Crystal structure of mature apo-Cathepsin L C25A mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin L1, GLYCEROL, ...
Authors:Adams-Cioaba, M.A, Krupa, J.C, Mort, J.S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J.
Deposit date:2009-08-31
Release date:2010-03-23
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the recognition and cleavage of histone H3 by cathepsin L.
Nat Commun, 2, 2011
7MDY
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BU of 7mdy by Molmil
LolCDE nucleotide-bound
Descriptor: ADP ORTHOVANADATE, Lipo-releasing system transmembrane protein lolC, Lipoprotein transporter subunit LolE, ...
Authors:Sharma, S, Liao, M.
Deposit date:2021-04-06
Release date:2021-08-11
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mechanism of LolCDE as a molecular extruder of bacterial triacylated lipoproteins
Nat Commun, 12, 2021
7MDX
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BU of 7mdx by Molmil
LolCDE nucleotide-free
Descriptor: (2R)-2-(tridecanoyloxy)propyl hexadecanoate, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, ...
Authors:Sharma, S, Liao, M.
Deposit date:2021-04-06
Release date:2021-08-11
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Mechanism of LolCDE as a molecular extruder of bacterial triacylated lipoproteins
Nat Commun, 12, 2021
3K24
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BU of 3k24 by Molmil
Crystal structure of mature apo-Cathepsin L C25A mutant in complex with Gln-Leu-Ala peptide
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-6)-beta-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin L1, ...
Authors:Adams-Cioaba, M.A, Krupa, J.C, Mort, J.S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2009-09-29
Release date:2010-03-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the recognition and cleavage of histone H3 by cathepsin L.
Nat Commun, 2, 2011
7MEW
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BU of 7mew by Molmil
E. coli MsbA in complex with G247
Descriptor: (2E)-3-{1-cyclopropyl-7-[(1S)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid, ATP-dependent lipid A-core flippase
Authors:Thelot, F, Liao, M.
Deposit date:2021-04-08
Release date:2021-10-06
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Distinct allosteric mechanisms of first-generation MsbA inhibitors.
Science, 374, 2021
7MET
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BU of 7met by Molmil
A. baumannii MsbA in complex with TBT1 decoupler
Descriptor: 2-(4-chlorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid, ATP-dependent lipid A-core flippase
Authors:Thelot, F, Liao, M.
Deposit date:2021-04-07
Release date:2021-10-06
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:Distinct allosteric mechanisms of first-generation MsbA inhibitors.
Science, 374, 2021
8DS8
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BU of 8ds8 by Molmil
Crystal structure of human TNRC18 BAH domain in complex with H3K9me3 peptide
Descriptor: Histone H3.1, Trinucleotide repeat-containing gene 18 protein
Authors:Song, J.K, Lu, J.W.
Deposit date:2022-07-21
Release date:2023-08-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:TNRC18 engages H3K9me3 to mediate silencing of endogenous retrotransposons.
Nature, 623, 2023
3LLR
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BU of 3llr by Molmil
Crystal structure of the PWWP domain of Human DNA (cytosine-5-)-methyltransferase 3 alpha
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (cytosine-5)-methyltransferase 3A, SULFATE ION
Authors:Qiu, W, Dombrovski, L, Ni, S, Weigelt, J, Boutra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2010-01-29
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
7L0W
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BU of 7l0w by Molmil
Human Bocavirus 1 (pH 5.5)
Descriptor: VP2
Authors:Luo, M, Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2020-12-13
Release date:2021-01-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:pH-Induced Conformational Changes of Human Bocavirus Capsids.
J.Virol., 95, 2021
7L0U
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BU of 7l0u by Molmil
Human Bocavirus 2 (pH 5.5)
Descriptor: VP2
Authors:Luo, M, Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2020-12-13
Release date:2021-01-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:pH-Induced Conformational Changes of Human Bocavirus Capsids.
J.Virol., 95, 2021
7L0V
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BU of 7l0v by Molmil
Human Bocavirus 2 (pH 7.4)
Descriptor: VP2
Authors:Luo, M, Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2020-12-13
Release date:2021-01-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:pH-Induced Conformational Changes of Human Bocavirus Capsids.
J.Virol., 95, 2021
3L42
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BU of 3l42 by Molmil
PWWP domain of human bromodomain and PHD finger containing protein 1
Descriptor: Peregrin, UNKNOWN ATOM OR ION
Authors:Tempel, W, Zeng, H, Ni, S, Amaya, M.F, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2009-12-18
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011
3H8Z
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BU of 3h8z by Molmil
The Crystal Structure of the Tudor Domains from FXR2
Descriptor: Fragile X mental retardation syndrome-related protein 2
Authors:Amaya, M.F, Dong, A, Adams-Cioaba, M.A, Guo, Y, MacKenzie, F, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2009-04-29
Release date:2009-06-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Studies of the Tandem Tudor Domains of Fragile X Mental Retardation Related Proteins FXR1 and FXR2.
Plos One, 5, 2010
2DQS
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BU of 2dqs by Molmil
Crystal structure of the calcium pump with amppcp in the absence of calcium
Descriptor: MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ...
Authors:Toyoshima, C, Norimatsu, Y, Tsueda, J.
Deposit date:2006-05-29
Release date:2007-06-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the calcium pump with a bound ATP analogue in the absence of calcium
To be Published
7WI6
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BU of 7wi6 by Molmil
Cryo-EM structure of LY341495/NAM-bound mGlu3
Descriptor: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3
Authors:Fang, W, Yang, F, Xu, C.J, Ling, S.L, Lin, L, Zhou, Y.X, Sun, W.J, Wang, X.M, Liu, P, Rondard, P, Pan, S, Pin, J.P, Tian, C.L, Liu, J.F.
Deposit date:2022-01-03
Release date:2022-03-16
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Structural basis of the activation of metabotropic glutamate receptor 3.
Cell Res., 32, 2022
7WIH
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BU of 7wih by Molmil
Cryo-EM structure of LY2794193-bound mGlu3
Descriptor: (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3
Authors:Fang, W, Yang, F, Xu, C.J, Ling, S.L, Lin, L, Zhou, Y.X, Sun, W.J, Wang, X.M, Liu, P, Rondard, P, Pan, S, Pin, J.P, Tian, C.L, Liu, J.F.
Deposit date:2022-01-03
Release date:2022-03-16
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structural basis of the activation of metabotropic glutamate receptor 3.
Cell Res., 32, 2022
7WI8
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BU of 7wi8 by Molmil
Cryo-EM structure of inactive mGlu3 bound to LY341495
Descriptor: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 3
Authors:Fang, W, Yang, F, Xu, C.J, Ling, S.L, Lin, L, Zhou, Y.X, Sun, W.J, Wang, X.M, Liu, P, Rondard, P, Pan, S, Pin, J.P, Tian, C.L, Liu, J.F.
Deposit date:2022-01-03
Release date:2022-03-16
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (4.17 Å)
Cite:Structural basis of the activation of metabotropic glutamate receptor 3.
Cell Res., 32, 2022
2EAT
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BU of 2eat by Molmil
Crystal structure of the SR CA2+-ATPASE with bound CPA and TG
Descriptor: (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ...
Authors:Takahashi, M, Kondou, Y, Toyoshima, C.
Deposit date:2007-02-02
Release date:2007-03-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Interdomain communication in calcium pump as revealed in the crystal structures with transmembrane inhibitors
Proc.Natl.Acad.Sci.Usa, 104, 2007
6M1I
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BU of 6m1i by Molmil
CryoEM structure of human PAC1 receptor in complex with PACAP38
Descriptor: 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y.
Deposit date:2020-02-26
Release date:2020-03-11
Last modified:2020-05-27
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism.
Cell Res., 30, 2020
2EAR
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BU of 2ear by Molmil
P21 crystal of the SR CA2+-ATPase with bound TG
Descriptor: OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, ...
Authors:Takahashi, M, Kondou, Y, Toyoshima, C.
Deposit date:2007-02-02
Release date:2007-03-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Interdomain communication in calcium pump as revealed in the crystal structures with transmembrane inhibitors
Proc.Natl.Acad.Sci.Usa, 104, 2007
2EAU
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BU of 2eau by Molmil
Crystal structure of the SR CA2+-ATPASE with bound CPA in the presence of curcumin
Descriptor: (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, PHOSPHATIDYLETHANOLAMINE, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
Authors:Takahashi, M, Kondou, Y, Toyoshima, C.
Deposit date:2007-02-02
Release date:2007-03-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Interdomain communication in calcium pump as revealed in the crystal structures with transmembrane inhibitors
Proc.Natl.Acad.Sci.Usa, 104, 2007
6M1H
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BU of 6m1h by Molmil
CryoEM structure of human PAC1 receptor in complex with maxadilan
Descriptor: 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y.
Deposit date:2020-02-26
Release date:2020-03-11
Last modified:2020-05-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism.
Cell Res., 30, 2020
4I1L
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BU of 4i1l by Molmil
Structural and Biological Features of FOXP3 Dimerization Relevant to Regulatory T Cell Function
Descriptor: ACETATE ION, Forkhead box protein P3, MAGNESIUM ION, ...
Authors:Song, X.M, Greene, M.I, Zhou, Z.C.
Deposit date:2012-11-21
Release date:2012-12-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and biological features of FOXP3 dimerization relevant to regulatory T cell function.
Cell Rep, 1, 2012
3QBY
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BU of 3qby by Molmil
Crystal structure of the PWWP domain of human Hepatoma-derived growth factor 2
Descriptor: H4K20me3 Histone H4 Peptide, Hepatoma-derived growth factor-related protein 2, SULFATE ION, ...
Authors:Zeng, H, Tempel, W, Amaya, M.F, Adams-Cioaba, M.A, Mackenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-01-14
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Histone Binding Ability Characterizations of Human PWWP Domains.
Plos One, 6, 2011

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