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5ZMD
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BU of 5zmd by Molmil
Crystal structure of FTO in complex with m6dA modified ssDNA
Descriptor: Alpha-ketoglutarate-dependent dioxygenase FTO, DNA (5'-D(P*TP*CP*TP*(6MA)P*TP*AP*TP*CP*G)-3'), MANGANESE (II) ION, ...
Authors:Zhang, X, Wei, L.H, Luo, J, Xiao, Y, Liu, J, Zhang, W, Zhang, L, Jia, G.F.
Deposit date:2018-04-02
Release date:2019-04-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural insights into FTO's catalytic mechanism for the demethylation of multiple RNA substrates.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6LC1
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BU of 6lc1 by Molmil
Structural basis of NR4A1 bound to the human pituitary proopiomelanocortin gene promoter
Descriptor: DNA, DNA (25-MER), Nuclear receptor subfamily 4 group A member 1, ...
Authors:Jiang, L, Chen, Y.
Deposit date:2019-11-16
Release date:2019-12-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural basis of NR4A1 bound to the human pituitary proopiomelanocortin gene promoter.
Biochem.Biophys.Res.Commun., 523, 2020
7DHY
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BU of 7dhy by Molmil
Arsenic-bound p53 DNA-binding domain mutant G245S
Descriptor: ARSENIC, Cellular tumor antigen p53, GLYCEROL, ...
Authors:Chen, S, Lu, M.
Deposit date:2020-11-18
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Arsenic Trioxide Rescues Structural p53 Mutations through a Cryptic Allosteric Site.
Cancer Cell, 39, 2021
7DHZ
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BU of 7dhz by Molmil
Arsenic-bound p53 DNA-binding domain mutant R249S
Descriptor: ARSENIC, Cellular tumor antigen p53, GLYCEROL, ...
Authors:Chen, S, Lu, M.
Deposit date:2020-11-18
Release date:2021-03-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Arsenic Trioxide Rescues Structural p53 Mutations through a Cryptic Allosteric Site.
Cancer Cell, 39, 2021
7EAX
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BU of 7eax by Molmil
Crystal complex of p53-V272M and antimony ion
Descriptor: ANTIMONY (III) ION, Cellular tumor antigen p53, ZINC ION
Authors:Lu, M, Tang, Y.
Deposit date:2021-03-08
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Repurposing antiparasitic antimonials to noncovalently rescue temperature-sensitive p53 mutations.
Cell Rep, 39, 2022
7V97
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BU of 7v97 by Molmil
Arsenic-bound p53 DNA-binding domain mutant V272M
Descriptor: ARSENIC, Cellular tumor antigen p53, ZINC ION
Authors:Lu, M, Xing, Y.F, Wang, Z.Y, Ni, Y, Song, H.X.
Deposit date:2021-08-24
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Diverse rescue potencies of p53 mutations to ATO are predetermined by intrinsic mutational properties.
Sci Transl Med, 15, 2023
1J73
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BU of 1j73 by Molmil
Crystal structure of an unstable insulin analog with native activity.
Descriptor: ZINC ION, insulin a, insulin b
Authors:Wan, Z, Zhao, M, Nakagawa, S, Jia, W, Weiss, M.A.
Deposit date:2001-05-15
Release date:2001-05-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Non-standard insulin design: structure-activity relationships at the periphery of the insulin receptor.
J.Mol.Biol., 315, 2002
1J3H
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BU of 1j3h by Molmil
Crystal structure of apoenzyme cAMP-dependent protein kinase catalytic subunit
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase, alpha-catalytic subunit
Authors:Akamine, P, Madhusudan, Wu, J, Xuong, N.H, Ten Eyck, L.F, Taylor, S.S.
Deposit date:2003-01-31
Release date:2003-03-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Dynamic Features of cAMP-dependent Protein Kinase Revealed by Apoenzyme Crystal Structure
J.Mol.Biol., 327, 2003
8WCO
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BU of 8wco by Molmil
(S)-citramalyl-CoA lyase
Descriptor: ACETYL COENZYME *A, Probable acyl-CoA lyase beta chain
Authors:Huang, Q, Bao, R.
Deposit date:2023-09-13
Release date:2024-05-15
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional characterization of itaconyl-CoA hydratase and citramalyl-CoA lyase involved in itaconate metabolism of Pseudomonas aeruginosa.
Structure, 32, 2024
4X1D
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BU of 4x1d by Molmil
Ytterbium-bound human serum transferrin
Descriptor: GLYCEROL, MALONATE ION, Serotransferrin, ...
Authors:Wang, M, Zhang, H, Sun, H.
Deposit date:2014-11-24
Release date:2015-04-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:"Anion clamp" allows flexible protein to impose coordination geometry on metal ions
Chem.Commun.(Camb.), 51, 2015
7YL8
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BU of 7yl8 by Molmil
Neutron structure of Bacillus thermoproteolyticus Ferredoxin at room temperature
Descriptor: Ferredoxin, IRON/SULFUR CLUSTER
Authors:Unno, M, Wada, K, Kobayashi, K.
Deposit date:2022-07-25
Release date:2024-02-07
Method:NEUTRON DIFFRACTION (1.45 Å), X-RAY DIFFRACTION
Cite:Protonation/deprotonation-driven switch for the redox stability of the low-potential [4Fe-4S] ferredoxin
To Be Published
4X1B
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BU of 4x1b by Molmil
Human serum transferrin with ferric ion bound at the C-lobe only
Descriptor: FE (III) ION, GLYCEROL, MALONATE ION, ...
Authors:Wang, M, Zhang, H, Sun, H.
Deposit date:2014-11-24
Release date:2015-04-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:"Anion clamp" allows flexible protein to impose coordination geometry on metal ions
Chem.Commun.(Camb.), 51, 2015
8BA7
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BU of 8ba7 by Molmil
CryoEM structure of nucleotide-free GroEL-Rubisco.
Descriptor: Chaperonin GroEL
Authors:Gardner, S, Saibil, H.R.
Deposit date:2022-10-11
Release date:2023-10-25
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural basis of substrate progression through the bacterial chaperonin cycle.
Proc.Natl.Acad.Sci.USA, 120, 2023
1JCA
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BU of 1jca by Molmil
Non-standard Design of Unstable Insulin Analogues with Enhanced Activity
Descriptor: ZINC ION, insulin a, insulin b
Authors:Weiss, M.A, Wan, Z, Zhao, M, Chu, Y.-C, Nakagawa, S.H, Burke, G.T, Jia, W, Hellmich, R, Katsoyannis, P.G.
Deposit date:2001-06-08
Release date:2001-06-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Non-standard insulin design: structure-activity relationships at the periphery of the insulin receptor.
J.Mol.Biol., 315, 2002
8BA8
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BU of 8ba8 by Molmil
CryoEM structure of GroEL-ADP.BeF3-Rubisco.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Chaperonin GroEL, ...
Authors:Gardner, S, Saibil, H.R.
Deposit date:2022-10-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of substrate progression through the bacterial chaperonin cycle.
Proc Natl Acad Sci U S A, 120, 2023
8BA9
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BU of 8ba9 by Molmil
CryoEM structure of GroEL-GroES-ADP.AlF3-Rubisco.
Descriptor: 60 kDa chaperonin, ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ...
Authors:Gardner, S, Saibil, H.R.
Deposit date:2022-10-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of substrate progression through the bacterial chaperonin cycle.
Proc Natl Acad Sci U S A, 120, 2023
1X8C
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BU of 1x8c by Molmil
Crystal structure of the SeMet-derivative copper homeostasis protein (cutCm) with calcium binding from Shigella flexneri 2a str. 301
Descriptor: CALCIUM ION, Copper homeostasis protein cutC
Authors:Wang, D.C, Zhu, D.Y.
Deposit date:2004-08-18
Release date:2005-08-09
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the copper homeostasis protein (CutCm) from Shigella flexneri at 1.7 A resolution: the first structure of a new sequence family of TIM barrels
Proteins, 58, 2005
1X7I
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BU of 1x7i by Molmil
Crystal structure of the native copper homeostasis protein (cutCm) with calcium binding from Shigella flexneri 2a str. 301
Descriptor: CALCIUM ION, Copper homeostasis protein cutC
Authors:Zhu, D.Y, Zhu, Y.Q, Huang, R.H, Xiang, Y, Wang, D.C.
Deposit date:2004-08-14
Release date:2005-03-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the copper homeostasis protein (CutCm) from Shigella flexneri at 1.7 A resolution: The first structure of a new sequence family of TIM barrels
Proteins, 58, 2004
8F0V
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BU of 8f0v by Molmil
Lipocalin-like Milk protein-2 - E38A mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Milk protein, ZINC ION
Authors:Subramanian, R, KanagaVijayan, D.
Deposit date:2022-11-04
Release date:2023-08-23
Method:X-RAY DIFFRACTION (2.951 Å)
Cite:Variability in phenylalanine side chain conformations facilitates broad substrate tolerance of fatty acid binding in cockroach milk proteins.
Plos One, 18, 2023
8F0Y
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BU of 8f0y by Molmil
Lipocalin-like Milk protein-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Milk protein
Authors:Subramanian, R, KanagaVijayan, D, Shantakumar, R.P.S.
Deposit date:2022-11-04
Release date:2023-08-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Variability in phenylalanine side chain conformations facilitates broad substrate tolerance of fatty acid binding in cockroach milk proteins.
Plos One, 18, 2023
6DE4
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BU of 6de4 by Molmil
Homo sapiens dihydrofolate reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylphenyl)but-3-yn-2-yl]-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid
Descriptor: 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Hajian, B, Wright, D.
Deposit date:2018-05-11
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.411 Å)
Cite:Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
6DDS
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BU of 6dds by Molmil
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid
Descriptor: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid, ACETATE ION, Dihydrofolate reductase, ...
Authors:Hajian, B, Wright, D, Scocchera, E.
Deposit date:2018-05-10
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
6DDW
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BU of 6ddw by Molmil
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid
Descriptor: Dihydrofolate reductase, GLYCEROL, N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid, ...
Authors:Hajian, B, Scocchera, E, Wright, D.
Deposit date:2018-05-10
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
6DDP
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BU of 6ddp by Molmil
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid
Descriptor: 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Hajian, B, Wright, D.
Deposit date:2018-05-10
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
6DE5
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BU of 6de5 by Molmil
Mycobacterium tuberculosis Rv2671 complexed with beta-NADPH and 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
Descriptor: 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, riboflavin biosynthesis protein RibD
Authors:Hajian, B, Wright, D.
Deposit date:2018-05-11
Release date:2018-05-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019

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PDB entries from 2024-10-16

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