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PDB: 78 results

4PNV
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BU of 4pnv by Molmil
E. coli sliding clamp apo-crystal in P21 space group with larger cell dimensions
Descriptor: CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2014-02-21
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
4N9A
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BU of 4n9a by Molmil
E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
Descriptor: (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2013-10-19
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014
4N98
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BU of 4n98 by Molmil
E. coli sliding clamp in complex with 4'-fluorobiphenyl-4-carboxylic acid
Descriptor: 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2013-10-19
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014
4PNU
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BU of 4pnu by Molmil
E. coli sliding clamp in complex with (R)-6-bromo-9-(2-((R)-1-carboxy-2-phenylethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Descriptor: (2R)-6-bromo-9-(2-{[(1R)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2014-02-21
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
4N95
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BU of 4n95 by Molmil
E. coli sliding clamp in complex with 5-chloroindoline-2,3-dione
Descriptor: 5-chloro-1H-indole-2,3-dione, CALCIUM ION, CHLORIDE ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2013-10-19
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014
4OVH
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BU of 4ovh by Molmil
E. coli sliding clamp in complex with (R)-6-bromo-9-(2-(carboxymethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Descriptor: (2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2014-02-21
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
8GSM
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BU of 8gsm by Molmil
Crystal Structure of VibMO1
Descriptor: 4-hydroxybenzoate decarboxylase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Ying, Z, Feng, K.N.
Deposit date:2022-09-06
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Crystal Structure of VibMO1
To Be Published
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
7QSD
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BU of 7qsd by Molmil
Bovine complex I in the active state at 3.1 A
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
Deposit date:2022-01-13
Release date:2022-03-02
Last modified:2023-03-08
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R42
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BU of 7r42 by Molmil
Bovine complex I in the presence of IM1761092, active class ii (Composite map)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
Authors:Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
Deposit date:2022-02-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R44
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BU of 7r44 by Molmil
Bovine complex I in the presence of IM1761092, active class iv (Composite map)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
Authors:Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
Deposit date:2022-02-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R4D
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BU of 7r4d by Molmil
Bovine complex I in the presence of IM1761092, deactive class vi (Composite map)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
Authors:Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
Deposit date:2022-02-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R45
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BU of 7r45 by Molmil
Bovine complex I in the presence of IM1761092, deactive class i (Composite map)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
Authors:Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
Deposit date:2022-02-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R41
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BU of 7r41 by Molmil
Bovine complex I in the presence of IM1761092, active class i (Composite map)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
Authors:Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
Deposit date:2022-02-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R46
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BU of 7r46 by Molmil
Bovine complex I in the presence of IM1761092, deactive class ii (Composite map)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
Authors:Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
Deposit date:2022-02-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R43
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BU of 7r43 by Molmil
Bovine complex I in the presence of IM1761092, active class iii (Composite map)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
Deposit date:2022-02-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R48
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BU of 7r48 by Molmil
Bovine complex I in the presence of IM1761092, deactive class iv (Composite map)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
Authors:Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
Deposit date:2022-02-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R47
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BU of 7r47 by Molmil
Bovine complex I in the presence of IM1761092, deactive class iii (Composite map)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
Authors:Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
Deposit date:2022-02-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R4C
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BU of 7r4c by Molmil
Bovine complex I in the presence of IM1761092, deactive class v (Composite map)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
Authors:Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
Deposit date:2022-02-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R4F
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BU of 7r4f by Molmil
Bovine complex I in the presence of IM1761092, slack class i (Composite map)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
Authors:Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
Deposit date:2022-02-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
7R4G
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BU of 7r4g by Molmil
Bovine complex I in the presence of IM1761092, slack class ii (Composite map)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine, ...
Authors:Bridges, H.R, Blaza, J.N, Yin, Z, Chung, I, Hirst, J.
Deposit date:2022-02-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural basis of mammalian respiratory complex I inhibition by medicinal biguanides.
Science, 379, 2023
5H1S
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BU of 5h1s by Molmil
Structure of the large subunit of the chloro-ribosome
Descriptor: 23S rRNA, 50S ribosomal protein L15, 50S ribosomal protein L17, ...
Authors:Ahmed, T, Yin, Z, Bhushan, S.
Deposit date:2016-10-11
Release date:2017-02-01
Last modified:2018-06-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of the large subunit of the spinach chloroplast ribosome.
Sci Rep, 6, 2016
5U6I
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BU of 5u6i by Molmil
Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity
Descriptor: 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W.
Deposit date:2016-12-08
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.
J. Med. Chem., 60, 2017
4UYI
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BU of 4uyi by Molmil
Crystal structure of the BTB domain of human SLX4 (BTBD12)
Descriptor: STRUCTURE-SPECIFIC ENDONUCLEASE SUBUNIT SLX4
Authors:Pinkas, D.M, Sanvitale, C.E, Strain-Damerell, C, Fairhead, M, Wang, D, Tallant, C, Cooper, C.D.O, Sorrell, F.J, Kopec, J, Chaikuad, A, Fitzpatrick, F, Pike, A.C.W, Hozjan, V, Ying, Z, Roos, A.K, Savitsky, P, Bradley, A, Nowak, R, Filippakopoulos, P, Krojer, T, Burgess-Brown, N.A, Marsden, B.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2014-09-01
Release date:2014-10-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal Structure of the Btb Domain of Human Slx4 (Btbd12)
To be Published
8GRM
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BU of 8grm by Molmil
Cryo-EM structure of PRC1 bound to H2AK119-UbcH5b-Ub nucleosome
Descriptor: COMMD3 protein, DNA (144-MER), DNA (145-MER), ...
Authors:Ai, H.S, Zebin, T, Zhihend, D, Jiakun, T, Liying, Z, Jia-Bin, L, Man, P, Liu, L.
Deposit date:2022-09-02
Release date:2023-04-12
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Synthetic E2-Ub-nucleosome conjugates for studying nucleosome ubiquitination.
Chem, 2023

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