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8GZJ
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BU of 8gzj by Molmil
Crystal structure of Cd2+-bound DNA aptamer
Descriptor: 25-mer DNA, BARIUM ION, CADMIUM ION
Authors:Gan, J.H, Liu, H.H, Gao, Y.Q.
Deposit date:2022-09-27
Release date:2023-08-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
8GZL
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BU of 8gzl by Molmil
Crystal structure of Cd2+-bound DNA aptamer
Descriptor: 25-mer DNA, BARIUM ION, CADMIUM ION
Authors:Gan, J.H, Liu, H.H, Gao, Y.Q.
Deposit date:2022-09-27
Release date:2023-08-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
8GZM
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BU of 8gzm by Molmil
Crystal structure of Cd2+-bound DNA aptamer T22C mutant
Descriptor: 25-mer DNA, BARIUM ION, CADMIUM ION
Authors:Gan, J.H, Liu, H.H, Gao, Y.Q.
Deposit date:2022-09-27
Release date:2023-08-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
8GZK
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BU of 8gzk by Molmil
Crystal structure of Cd2+-bound DNA aptamer T10A mutant
Descriptor: 25-mer DNA, BARIUM ION, CADMIUM ION
Authors:Gan, J.H, Liu, H.H, Gao, Y.Q.
Deposit date:2022-09-27
Release date:2023-08-09
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Crystal structures and identification of novel Cd2+-specific DNA aptamer.
Nucleic Acids Res., 51, 2023
4UT7
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BU of 4ut7 by Molmil
CRYSTAL STRUCTURE OF THE SCFV FRAGMENT OF THE BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11
Descriptor: BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 A11
Authors:Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A.
Deposit date:2014-07-18
Release date:2015-01-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
5BPE
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BU of 5bpe by Molmil
Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor
Descriptor: (2~{S})-~{N}-[(1~{R},2~{S})-1-cyano-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanamide, EV71 3Cpro
Authors:Luqing, S, Yin, Z.
Deposit date:2015-05-28
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Cyanohydrin as an Anchoring Group for Potent and Selective Inhibitors of Enterovirus 71 3C Protease
J.Med.Chem., 58, 2015
4RI2
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BU of 4ri2 by Molmil
Crystal structure of the photoprotective protein PsbS from spinach
Descriptor: CHLOROPHYLL A, MERCURY (II) ION, Photosystem II 22 kDa protein, ...
Authors:Fan, M, Li, M, Chang, W.
Deposit date:2014-10-05
Release date:2015-08-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structures of the PsbS protein essential for photoprotection in plants.
Nat.Struct.Mol.Biol., 22, 2015
4RI3
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BU of 4ri3 by Molmil
Crystal structure of DCCD-modified PsbS from spinach
Descriptor: DICYCLOHEXYLUREA, MERCURY (II) ION, Photosystem II 22 kDa protein, ...
Authors:Fan, M, Li, M, Chang, W.
Deposit date:2014-10-05
Release date:2015-08-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of the PsbS protein essential for photoprotection in plants.
Nat.Struct.Mol.Biol., 22, 2015
6DQ8
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BU of 6dq8 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N49 i.e. 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6JM5
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BU of 6jm5 by Molmil
Crystal structure of TBC1D23 C terminal domain
Descriptor: SODIUM ION, TBC1 domain family member 23
Authors:Sun, Q, Huang, W.
Deposit date:2019-03-07
Release date:2019-10-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional studies of TBC1D23 C-terminal domain provide a link between endosomal trafficking and PCH.
Proc.Natl.Acad.Sci.USA, 116, 2019
8X5D
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BU of 8x5d by Molmil
The cryo-EM structure of the Mycobacterium tuberculosis CRISPR-Csm complex
Descriptor: CRISPR system Cms endoribonuclease Csm3, CRISPR system Cms protein Csm5, Csm2, ...
Authors:Liu, M.X, Li, Z.K.
Deposit date:2023-11-17
Release date:2024-03-06
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Type-III-A structure of mycobacteria CRISPR-Csm complexes involving atypical crRNAs.
Int.J.Biol.Macromol., 260, 2024
8WCJ
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BU of 8wcj by Molmil
Crystal structure of GB3 penta mutation L5V/K10H/T16S/K19E/Y33I
Descriptor: Immunoglobulin G-binding protein G
Authors:Qin, M.M, Chen, X.X, Zhang, X.Y, Song, X.F, Yao, L.S.
Deposit date:2023-09-12
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Protein Allostery Study in Cells Using NMR Spectroscopy.
Anal.Chem., 96, 2024
6DQ6
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BU of 6dq6 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N44 i.e. 3-((2-(pyridin-2-yl)-6-(4-(vinylsulfonyl)-1,4-diazepan-1-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Linked KDM5A Jmj Domain, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.587 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQF
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BU of 6dqf by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N68 i.e. 2-(1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)thieno[3,2-b]pyridine-7-carboxylic acid
Descriptor: 2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid, Linked KDM5A Jmj Domain, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.688 Å)
Cite:To be determined
To Be Published
6DQA
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BU of 6dqa by Molmil
Linked KDM5A JMJ Domain Bound to Inhibitor N70 i.e.[2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
Descriptor: 1,2-ETHANEDIOL, 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.888 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQC
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BU of 6dqc by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N50 i.e. 2-(4-((2-(dimethylamino)ethyl)(ethyl)carbamoyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl)isonicotinic acid
Descriptor: 2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:To be determined
To Be Published
6DQD
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BU of 6dqd by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N53 i.e. 2-(5-([1,1'-biphenyl]-3-yl)-4-(1-(2-(piperidin-1-yl)ethoxy)ethyl)-1H-pyrazol-1-yl)isonicotinic acid
Descriptor: 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.987 Å)
Cite:To be determined
To Be Published
6DQ5
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BU of 6dq5 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N43 i.e. 3-((6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: Linked KDM5A Jmj Domain, MANGANESE (II) ION, N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQE
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BU of 6dqe by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N67 i.e. 2-(5-phenyl-4-(phenyl(2-(piperidin-1-yl)ethoxy)methyl)-1H-pyrazol-1-yl)isonicotinic acid
Descriptor: 2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.689 Å)
Cite:To be determined
To Be Published
4V40
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BU of 4v40 by Molmil
BETA-GALACTOSIDASE
Descriptor: BETA-GALACTOSIDASE, MAGNESIUM ION
Authors:Jacobson, R.H, Zhang, X, Dubose, R.F, Matthews, B.W.
Deposit date:1994-07-18
Release date:2014-07-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Three-dimensional structure of beta-galactosidase from E. coli.
Nature, 369, 1994
6IVE
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BU of 6ive by Molmil
Molecular structure of a thermostable and a Zinc ion binding gamma-class carbonic anhydrase
Descriptor: Ferripyochelin-binding protein, PHOSPHATE ION, ZINC ION
Authors:Wang, W.M, Wang, H.F.
Deposit date:2018-12-03
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular structure of thermostable and zinc-ion-binding gamma-class carbonic anhydrases.
Biometals, 32, 2019
4M5E
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BU of 4m5e by Molmil
Tse3 structure
Descriptor: CADMIUM ION, CALCIUM ION, GLYCEROL, ...
Authors:Qian, Y.
Deposit date:2013-08-08
Release date:2014-04-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
4TTH
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BU of 4tth by Molmil
Crystal structure of a CDK6/Vcyclin complex with inhibitor bound
Descriptor: 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6
Authors:Piper, D.E, Walker, N, Wang, Z.
Deposit date:2014-06-20
Release date:2014-08-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014
4NNH
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BU of 4nnh by Molmil
Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide
Descriptor: 30S ribosomal protein S1
Authors:Yang, J, Liu, Y, Cai, Q, Lin, D.
Deposit date:2013-11-18
Release date:2014-12-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide.
Mol.Microbiol., 95, 2015
6DQ7
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BU of 6dq7 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE POTENTIAL HYDROLYSIS PRODUCT OF INHIBITOR N45 i.e. 3-((6-(4-(2-cyano-3-methylbut-2-enoyl)-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Linked KDM5A Jmj Domain, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Structure-based Engineering of Reversible Covalent Inhibitors Against Histone Lysine Demethylase 5A
To Be Published

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