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6G2V
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BU of 6g2v by Molmil
Crystal structure of the p97 D2 domain in a helical split-washer conformation
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ...
Authors:Stach, L, Morgan, R.M.L, Freemont, P.S.
Deposit date:2018-03-23
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Febs Lett., 594, 2020
6G2Y
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BU of 6g2y by Molmil
Crystal structure of the p97 D2 domain in a helical split-washer conformation
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ...
Authors:Stach, L, Morgan, R.M.L, Freemont, P.S.
Deposit date:2018-03-23
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Febs Lett., 594, 2020
6G2Z
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BU of 6g2z by Molmil
Crystal structure of the p97 D2 domain in a helical split-washer conformation
Descriptor: (3-phenyl-1,2-oxazol-5-yl)methylazanium, (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Stach, L, Morgan, R.M.L, Freemont, P.S.
Deposit date:2018-03-23
Release date:2019-04-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.923 Å)
Cite:Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Febs Lett., 594, 2020
7RFK
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BU of 7rfk by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor Sinefungin
Descriptor: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
Authors:Horton, J.R, Cheng, X, Zhou, J.
Deposit date:2021-07-14
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
7RFM
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BU of 7rfm by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor EPZ004777
Descriptor: 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, DNA Strand 1, ...
Authors:Horton, J.R, Cheng, X, Zhou, J.
Deposit date:2021-07-14
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
7RFN
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BU of 7rfn by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC8158
Descriptor: 1,2-ETHANEDIOL, 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine, DNA Strand 1, ...
Authors:Horton, J.R, Cheng, X, Zhou, J.
Deposit date:2021-07-14
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
7RFL
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BU of 7rfl by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC0946
Descriptor: 1,2-ETHANEDIOL, 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, DNA Strand 1, ...
Authors:Horton, J.R, Cheng, X, Zhou, J.
Deposit date:2021-07-14
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
8ISK
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BU of 8isk by Molmil
Pr conformer of Zea mays phytochrome A1 - ZmphyA1-Pr
Descriptor: 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome
Authors:Zhang, Y, Ma, C, Zhao, J, Gao, N, Wang, J.
Deposit date:2023-03-20
Release date:2023-08-09
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into plant phytochrome A as a highly sensitized photoreceptor.
Cell Res., 33, 2023
7DTT
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BU of 7dtt by Molmil
Human Calcium-Sensing Receptor bound with calcium ions
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Sun, D.M, Liu, L, Shi, C.W.
Deposit date:2021-01-06
Release date:2021-03-10
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7DTV
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BU of 7dtv by Molmil
Human Calcium-Sensing Receptor bound with L-Trp and calcium ions
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
Deposit date:2021-01-06
Release date:2021-03-10
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7DTW
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BU of 7dtw by Molmil
Human Calcium-Sensing Receptor in the inactive close-close conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor
Authors:Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
Deposit date:2021-01-06
Release date:2021-03-10
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7DTU
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BU of 7dtu by Molmil
Human Calcium-Sensing Receptor bound with L-Trp
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor, ...
Authors:Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W.
Deposit date:2021-01-06
Release date:2021-03-10
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan.
Cell Res., 31, 2021
7DSC
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BU of 7dsc by Molmil
CALHM1 open state with disordered CTH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1
Authors:Ren, Y, Yang, X, Shen, Y.Q.
Deposit date:2020-12-30
Release date:2022-01-05
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of the heptameric calcium homeostasis modulator 1 channel.
J.Biol.Chem., 298, 2022
7DSD
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BU of 7dsd by Molmil
CALHM1 close state with disordered CTH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1
Authors:Ren, Y, Yang, X, Shen, Y.Q.
Deposit date:2020-12-30
Release date:2022-01-05
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structure of the heptameric calcium homeostasis modulator 1 channel.
J.Biol.Chem., 298, 2022
7DSE
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BU of 7dse by Molmil
CALHM1 close state with ordered CTH
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1
Authors:Ren, Y, Yang, X, Shen, Y.Q.
Deposit date:2020-12-30
Release date:2022-01-05
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of the heptameric calcium homeostasis modulator 1 channel.
J.Biol.Chem., 298, 2022
6OD4
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BU of 6od4 by Molmil
Human TCF4 C-terminal bHLH domain in Complex with 11-bp Oligonucleotide Containing E-box Sequence
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*CP*AP*CP*GP*TP*GP*TP*A)-3'), Transcription factor 4
Authors:Horton, J.R, Cheng, X, Yang, J.
Deposit date:2019-03-25
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine.
Nucleic Acids Res., 47, 2019
6OD3
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BU of 6od3 by Molmil
Human TCF4 C-terminal bHLH domain in Complex with 13-bp Oligonucleotide Containing E-box Sequence
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*AP*TP*AP*CP*AP*CP*GP*TP*GP*TP*AP*T)-3'), ...
Authors:Horton, J.R, Cheng, X, Yang, J.
Deposit date:2019-03-25
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.494 Å)
Cite:Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine.
Nucleic Acids Res., 47, 2019
5ISL
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BU of 5isl by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor C49 (2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid)
Descriptor: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-15
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.694 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
8VPI
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BU of 8vpi by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 462
Descriptor: DNA Strand I, DNA Strand II, N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(4-methylpiperazin-1-yl)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide, ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2024-01-16
Release date:2024-09-25
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
8VPG
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BU of 8vpg by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 455
Descriptor: DNA Strand I, DNA Strand II, N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(dimethylamino)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide, ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2024-01-16
Release date:2024-09-25
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
8VPH
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BU of 8vph by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 455 and Inhibitor MC4741
Descriptor: DNA Strand I, DNA Strand II, N-(3-phenylpropyl)adenosine, ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2024-01-16
Release date:2024-09-25
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
4YR6
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BU of 4yr6 by Molmil
Fab fragment of 5G6 in complex with epitope peptide
Descriptor: ACE-LYS-LEU-ARG-GLY-VAL-LEU-GLN-GLY-HIS-LEU, GLYCEROL, heavy chain of 5G6, ...
Authors:Tao, Y, Mo, X, Li, R.
Deposit date:2015-03-14
Release date:2016-03-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural basis for the specific inhibition of glycoprotein Ib alpha shedding by an inhibitory antibody.
Sci Rep, 6, 2016
7RD0
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BU of 7rd0 by Molmil
Crystal structure of C. difficile penicillin-binding protein 3 in apo form
Descriptor: GLYCEROL, Penicillin-binding protein, ZINC ION
Authors:Sacco, M, Chen, Y.
Deposit date:2021-07-08
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile.
Nat Commun, 13, 2022
7RCW
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BU of 7rcw by Molmil
Crystal structure of C. difficile penicillin-binding protein 2 in complex with ampicillin
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sacco, M, Chen, Y.
Deposit date:2021-07-08
Release date:2022-03-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile.
Nat Commun, 13, 2022
7RCZ
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BU of 7rcz by Molmil
Crystal structure of C. difficile SpoVD in complex with ampicillin
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Sacco, M, Chen, Y.
Deposit date:2021-07-08
Release date:2022-03-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile.
Nat Commun, 13, 2022

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