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6AGK
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BU of 6agk by Molmil
The structure of CH-II-77-tubulin complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Chen, H, Arnst, K, Wang, Y, Miller, D, Li, W.
Deposit date:2018-08-13
Release date:2019-08-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Activity Relationship Study of Novel 6-Aryl-2-benzoyl-pyridines as Tubulin Polymerization Inhibitors with Potent Antiproliferative Properties.
J.Med.Chem., 63, 2020
3V6Y
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BU of 3v6y by Molmil
crystal structure of FBF-2 in complex with a mutant gld-1 FBEa13 RNA
Descriptor: Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*AP*CP*UP*GP*UP*GP*CP*CP*AP*UP*AP*C)-3')
Authors:Qiu, C, Kershner, A, Wang, Y, Holley, C.H, Wilinski, D, Keles, S, Kimble, J, Wickens, M, Hall, T.M.T.
Deposit date:2011-12-20
Release date:2012-01-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Divergence of PUF protein specificity through variations in an RNA-binding pocket
J.Biol.Chem., 2012
5ZP5
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BU of 5zp5 by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH 6 at 277 K (1)
Descriptor: COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION
Authors:Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
Deposit date:2018-04-16
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.767 Å)
Cite:In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5ZPJ
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BU of 5zpj by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine at pH 6 at 288 K (1)
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, Phenylethylamine oxidase, ...
Authors:Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
Deposit date:2018-04-16
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.647 Å)
Cite:In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6LTP
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BU of 6ltp by Molmil
Crystal structure of Cas12i2 binary complex
Descriptor: Cas12i2, crRNA (56-mer RNA)
Authors:Huang, X, Sun, W, Cheng, Z, Chen, M, Li, X, Wang, J, Sheng, G, Gong, W, Wang, Y.
Deposit date:2020-01-23
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis for two metal-ion catalysis of DNA cleavage by Cas12i2.
Nat Commun, 11, 2020
7E35
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BU of 7e35 by Molmil
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43
Descriptor: N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Non-structural protein 3, ZINC ION
Authors:Liu, J, Wang, Y, Xu, X, Pan, L.
Deposit date:2021-02-08
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2.
Cell Chem Biol, 28, 2021
5ZP6
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BU of 5zp6 by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH 6 at 277 K (2)
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, Phenylethylamine oxidase, ...
Authors:Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
Deposit date:2018-04-16
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.688 Å)
Cite:In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5ZPK
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BU of 5zpk by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine at pH 6 at 288 K (2)
Descriptor: COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION
Authors:Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
Deposit date:2018-04-16
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6LTR
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BU of 6ltr by Molmil
Crystal structure of Cas12i2 ternary complex with single Mg2+ bound in catalytic pocket
Descriptor: 1,2-ETHANEDIOL, Cas12i2, DNA (35-MER), ...
Authors:Huang, X, Sun, W, Cheng, Z, Chen, M, Li, X, Wang, J, Sheng, G, Gong, W, Wang, Y.
Deposit date:2020-01-23
Release date:2020-10-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural basis for two metal-ion catalysis of DNA cleavage by Cas12i2.
Nat Commun, 11, 2020
6LU0
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BU of 6lu0 by Molmil
Crystal structure of Cas12i2 ternary complex with 12 nt spacer
Descriptor: Cas12i2, DNA (5'-D(*GP*CP*CP*GP*CP*TP*TP*TP*CP*TP*T)-3'), DNA (5'-D(*GP*CP*TP*TP*GP*CP*TP*CP*TP*GP*TP*TP*GP*AP*AP*AP*GP*CP*GP*GP*C)-3'), ...
Authors:Huang, X, Sun, W, Cheng, Z, Chen, M, Li, X, Wang, J, Sheng, G, Gong, W, Wang, Y.
Deposit date:2020-01-24
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structural basis for two metal-ion catalysis of DNA cleavage by Cas12i2.
Nat Commun, 11, 2020
5ZPL
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BU of 5zpl by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine at pH 7 at 288 K (1)
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, Phenylethylamine oxidase, ...
Authors:Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
Deposit date:2018-04-16
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6LTU
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BU of 6ltu by Molmil
Crystal structure of Cas12i2 ternary complex with double Mg2+ bound in catalytic pocket
Descriptor: 1,2-ETHANEDIOL, Cas12i2, DNA (35-MER), ...
Authors:Huang, X, Sun, W, Cheng, Z, Chen, M, Li, X, Wang, J, Sheng, G, Gong, W, Wang, Y.
Deposit date:2020-01-23
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structural basis for two metal-ion catalysis of DNA cleavage by Cas12i2.
Nat Commun, 11, 2020
5ZOZ
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BU of 5zoz by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH 8 at 288 K (1)
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, Phenylethylamine oxidase, ...
Authors:Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
Deposit date:2018-04-16
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5ZPC
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BU of 5zpc by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH 6 at 283 K (4)
Descriptor: COPPER (II) ION, Phenylethylamine oxidase
Authors:Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
Deposit date:2018-04-16
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.741 Å)
Cite:In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5ZPQ
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BU of 5zpq by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine at pH 9 at 288 K (1)
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, PHENYLACETALDEHYDE, ...
Authors:Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
Deposit date:2018-04-16
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5ZP2
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BU of 5zp2 by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH 9 at 288 K (2)
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, Phenylethylamine oxidase, ...
Authors:Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
Deposit date:2018-04-16
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5ZPD
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BU of 5zpd by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH 6 at 288 K (1)
Descriptor: COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION
Authors:Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
Deposit date:2018-04-16
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.665 Å)
Cite:In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5ZPR
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BU of 5zpr by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by phenylethylamine at pH 9 at 288 K (2)
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, PHENYLACETALDEHYDE, ...
Authors:Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
Deposit date:2018-04-16
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.922 Å)
Cite:In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6BS2
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BU of 6bs2 by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 8b
Descriptor: 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Kumar, G, Wang, Y, Li, W, White, S.W.
Deposit date:2017-12-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
7D6H
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BU of 7d6h by Molmil
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant
Descriptor: PHOSPHATE ION, Papain-like protease, ZINC ION
Authors:Liu, J, Wang, Y, Pan, L.
Deposit date:2020-09-30
Release date:2020-11-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2.
Cell Chem Biol, 28, 2021
6BR1
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BU of 6br1 by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4a
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine, CALCIUM ION, ...
Authors:Kumar, G, Wang, Y, Li, W, White, S.W.
Deposit date:2017-11-29
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
3V71
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BU of 3v71 by Molmil
Crystal structure of PUF-6 in complex with 5BE13 RNA
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Puf (Pumilio/fbf) domain-containing protein 7, confirmed by transcript evidence, ...
Authors:Qiu, C, Kershner, A, Wang, Y, Holley, C.H, Wilinski, D, Keles, S, Kimble, J, Wickens, M, Hall, T.M.T.
Deposit date:2011-12-20
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.902 Å)
Cite:Divergence of PUF protein specificity through variations in an RNA-binding pocket
J.Biol.Chem., 2012
6KH4
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BU of 6kh4 by Molmil
Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
Descriptor: FE (III) ION, Ferritin, NICKEL (II) ION
Authors:Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G.
Deposit date:2019-07-12
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
6BRF
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BU of 6brf by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4b
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine, CALCIUM ION, ...
Authors:Kumar, G, Wang, Y, Li, W, White, S.W.
Deposit date:2017-11-30
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
5ZP7
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BU of 5zp7 by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH 6 at 277 K (3)
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, Phenylethylamine oxidase, ...
Authors:Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
Deposit date:2018-04-16
Release date:2018-12-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019

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