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6ZI6
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BU of 6zi6 by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 20 ps structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-24
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
6ZI9
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BU of 6zi9 by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 300 ps (b) structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-25
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
6ZID
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BU of 6zid by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 5 ps (b) structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-25
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
5YQX
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BU of 5yqx by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: (2R)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
Authors:Xue, X, Zhang, Y, Wang, C, Song, M.
Deposit date:2017-11-08
Release date:2018-11-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer.
Eur.J.Med.Chem., 152, 2018
6ZIA
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BU of 6zia by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 8 us structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-25
Release date:2020-12-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
3RZH
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BU of 3rzh by Molmil
Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage
Descriptor: 5'-D(*CP*TP*GP*TP*CP*TP*(ME6)P*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*GP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ...
Authors:Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C.
Deposit date:2011-05-11
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
3RZG
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BU of 3rzg by Molmil
Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage
Descriptor: 5'-D(*CP*TP*GP*TP*CP*AP*TP*CP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*TP*GP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ...
Authors:Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C.
Deposit date:2011-05-11
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
3RZM
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BU of 3rzm by Molmil
Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage
Descriptor: 5'-D(*AP*TP*GP*TP*AP*TP*AP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*TP*AP*TP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ...
Authors:Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C.
Deposit date:2011-05-11
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
3RZK
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BU of 3rzk by Molmil
Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage
Descriptor: 2-OXOGLUTARIC ACID, 5'-D(*CP*TP*GP*TP*CP*TP*(EDA)P*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*TP*AP*GP*AP*CP*A)-3', ...
Authors:Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C.
Deposit date:2011-05-11
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
5NJ4
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BU of 5nj4 by Molmil
From macrocrystals to microcrystals: a strategy for membrane protein serial crystallography
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Dods, R, Baath, P, Branden, G, Neutze, R.
Deposit date:2017-03-28
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:From Macrocrystals to Microcrystals: A Strategy for Membrane Protein Serial Crystallography.
Structure, 25, 2017
6ZI5
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BU of 6zi5 by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 300 ps (a) structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-24
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
6ZI4
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BU of 6zi4 by Molmil
Ultrafast Structural Response to Charge Redistribution Within a Photosynthetic Reaction Centre - 5 ps (a) structure
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Baath, P, Dods, R, Braenden, G, Neutze, R.
Deposit date:2020-06-24
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ultrafast structural changes within a photosynthetic reaction centre.
Nature, 589, 2021
3RZL
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BU of 3rzl by Molmil
Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage
Descriptor: 5'-D(*AP*TP*GP*TP*AP*TP*CP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*IP*AP*TP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ...
Authors:Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C.
Deposit date:2011-05-11
Release date:2012-06-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
3IWY
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BU of 3iwy by Molmil
Crystal structure of human MDM2 complexed with D-peptide (12 residues)
Descriptor: D-peptide inhibitor, E3 ubiquitin-protein ligase Mdm2
Authors:Pazgier, M, Lu, W.
Deposit date:2009-09-03
Release date:2010-04-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:D-peptide inhibitors of the p53-MDM2 interaction for targeted molecular therapy of malignant neoplasms.
Proc.Natl.Acad.Sci.USA, 398, 2010
8IF5
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BU of 8if5 by Molmil
AFB1-AF26 APTAMER COMPLEX
Descriptor: AFB1 DNA aptamer (26-MER), AFLATOXIN B1
Authors:Xu, G.H, Wang, C, Li, C.G.
Deposit date:2023-02-17
Release date:2023-07-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for high-affinity recognition of aflatoxin B1 by a DNA aptamer.
Nucleic Acids Res., 51, 2023
2PLZ
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BU of 2plz by Molmil
Arg-modified human beta-defensin 1 (HBD1)
Descriptor: Beta-defensin 1, SULFATE ION
Authors:Lubkowski, J, Pazgier, M, Lu, W.
Deposit date:2007-04-20
Release date:2007-05-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Toward understanding the cationicity of defensins. Arg and Lys versus their noncoded analogs.
J.Biol.Chem., 282, 2007
2PM4
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BU of 2pm4 by Molmil
Human alpha-defensin 1 (multiple Arg->Lys mutant)
Descriptor: Neutrophil defensin 1 (HNP-1) (HP-1) (HP1) (Defensin, alpha 1)
Authors:Lubkowski, J, Pazgier, M, Lu, W.
Deposit date:2007-04-20
Release date:2007-05-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Toward understanding the cationicity of defensins. Arg and Lys versus their noncoded analogs.
J.Biol.Chem., 282, 2007
7P3J
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BU of 7p3j by Molmil
EED in complex with compound 4
Descriptor: 8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-pyrido[3,4-d]pyridazin-1-one, MAGNESIUM ION, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
Authors:Read, J.A.
Deposit date:2021-07-07
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase.
J.Med.Chem., 64, 2021
7P3C
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BU of 7p3c by Molmil
EED in complex with compound 4
Descriptor: N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide, Polycomb protein EED
Authors:Read, J.A.
Deposit date:2021-07-07
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase.
J.Med.Chem., 64, 2021
7P3G
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BU of 7p3g by Molmil
EED in complex with compound 4
Descriptor: N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-N8-methyl-N8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine, Polycomb protein EED
Authors:Read, J.A.
Deposit date:2021-07-07
Release date:2021-12-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase.
J.Med.Chem., 64, 2021
8BSS
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BU of 8bss by Molmil
Solution Structure of thanatin-like derivative 5 in complex with E. coli LptA mutant Q62L
Descriptor: Lipopolysaccharide export system protein LptA, Thanatin-like derivative
Authors:Oi, K.K, Jurt, S, Moehle, K, Zerbe, O.
Deposit date:2022-11-26
Release date:2023-06-07
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Peptidomimetic antibiotics disrupt the lipopolysaccharide transport bridge of drug-resistant Enterobacteriaceae.
Sci Adv, 9, 2023
6IWK
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BU of 6iwk by Molmil
The Structure of Maltooligosaccharide-forming Amylase from Pseudomonas saccharophila STB07
Descriptor: CALCIUM ION, GLYCEROL, Glucan 1,4-alpha-maltotetraohydrolase
Authors:Li, Z.F, Ban, X.F, Zhang, Z.Q, Li, C.M, Gu, Z.B, Jin, T.C, Li, Y.L, Shang, Y.H.
Deposit date:2018-12-05
Release date:2019-12-11
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Structure of maltotetraose-forming amylase from Pseudomonas saccharophila STB07 provides insights into its product specificity.
Int.J.Biol.Macromol., 154, 2020
8XGB
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BU of 8xgb by Molmil
Crystal structure of human secretory glutaminyl cyclase in complex with (S)-1-(1H-benzo[d]imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
Descriptor: (5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XGY
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BU of 8xgy by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (R,Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((1-acetylpyrrolidin-3-yl)oxy)indolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-[(3~{R})-1-ethanoylpyrrolidin-3-yl]oxy-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-16
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XGT
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BU of 8xgt by Molmil
Crystal structure of human secretory glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.813 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024

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