6BGM
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![BU of 6bgm by Molmil](/molmil-images/mine/6bgm) | Crystal structure of ferrous form of the crosslinked human cysteine dioxygenase | Descriptor: | Cysteine dioxygenase type 1, FE (II) ION, GLYCEROL, ... | Authors: | Liu, A, Li, J, Shin, I. | Deposit date: | 2017-10-28 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase. Nat. Chem. Biol., 14, 2018
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6BPX
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![BU of 6bpx by Molmil](/molmil-images/mine/6bpx) | Crystal structure of cysteine-bound ferrous form of the matured Cl2-Tyr157 human cysteine dioxygenase | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... | Authors: | Liu, A, Li, J, Shin, I. | Deposit date: | 2017-11-26 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase. Nat. Chem. Biol., 14, 2018
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4MBL
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![BU of 4mbl by Molmil](/molmil-images/mine/4mbl) | Discovery of Pyrazolo[1,5a]pyrimidine-based Pim1 Inhibitors | Descriptor: | (1R,2R)-N-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine, Serine/threonine-protein kinase pim-1 | Authors: | Azevedo, R, Fischmann, T.O. | Deposit date: | 2013-08-19 | Release date: | 2013-09-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of pyrazolo[1,5-a]pyrimidine-based Pim inhibitors: A template-based approach. Bioorg.Med.Chem.Lett., 23, 2013
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4N96
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![BU of 4n96 by Molmil](/molmil-images/mine/4n96) | E. coli sliding clamp in complex with 6-nitroindazole | Descriptor: | 6-NITROINDAZOLE, 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
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6JLH
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![BU of 6jlh by Molmil](/molmil-images/mine/6jlh) | Structure of SCGN in complex with a Snap25 peptide | Descriptor: | CALCIUM ION, CHLORIDE ION, Secretagogin, ... | Authors: | Qin, J, Sun, Q, Jia, D. | Deposit date: | 2019-03-05 | Release date: | 2020-03-11 | Last modified: | 2020-04-08 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural and mechanistic insights into secretagogin-mediated exocytosis. Proc.Natl.Acad.Sci.USA, 117, 2020
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7WSB
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![BU of 7wsb by Molmil](/molmil-images/mine/7wsb) | The ternary complex structure of FtmOx1 with a-ketoglutarate and 13-oxo-fumitremorgin B | Descriptor: | 13-Oxofumitremorgin B, 2-OXOGLUTARIC ACID, COBALT (II) ION, ... | Authors: | Wang, J, Wang, X.Y, Wang, Y.Y, Yan, W.P. | Deposit date: | 2022-01-28 | Release date: | 2022-07-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Dissecting the Mechanism of the Nonheme Iron Endoperoxidase FtmOx1 Using Substrate Analogues. Jacs Au, 2, 2022
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4OVF
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![BU of 4ovf by Molmil](/molmil-images/mine/4ovf) | E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | Descriptor: | (2R)-6-chloro-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 (2.05 Å) | Cite: | Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs. J.Med.Chem., 58, 2015
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8ITE
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![BU of 8ite by Molmil](/molmil-images/mine/8ite) | |
4P4R
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![BU of 4p4r by Molmil](/molmil-images/mine/4p4r) | Structural Basis of Chronic Beryllium Disease: Bridging the Gap Between Allergic Hypersensitivity and Autoimmunity | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DP alpha 1 chain, ... | Authors: | Clayton, G.M, Crawford, F, Kappler, J.W. | Deposit date: | 2014-03-13 | Release date: | 2014-07-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity. Cell, 158, 2014
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4P61
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![BU of 4p61 by Molmil](/molmil-images/mine/4p61) | |
4N94
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![BU of 4n94 by Molmil](/molmil-images/mine/4n94) | E. coli sliding clamp in complex with 3,4-difluorobenzamide | Descriptor: | 1,2-ETHANEDIOL, 3,4-difluorobenzamide, CALCIUM 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 (1.73 Å) | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
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6KWY
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![BU of 6kwy by Molmil](/molmil-images/mine/6kwy) | human PA200-20S complex | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Proteasome activator complex subunit 4, Proteasome subunit alpha type-1, ... | Authors: | Ouyang, S, Hongxin, G. | Deposit date: | 2019-09-09 | Release date: | 2020-04-01 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.72 Å) | Cite: | Cryo-EM structures of the human PA200 and PA200-20S complex reveal regulation of proteasome gate opening and two PA200 apertures. Plos Biol., 18, 2020
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7WVR
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![BU of 7wvr by Molmil](/molmil-images/mine/7wvr) | |
8WI0
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![BU of 8wi0 by Molmil](/molmil-images/mine/8wi0) | wt-hMRP5 inward-open | Descriptor: | ATP-binding cassette sub-family C member 5 | Authors: | Liu, Z.M, Huang, Y. | Deposit date: | 2023-09-24 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.93 Å) | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5. Nat Commun, 15, 2024
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4PNW
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![BU of 4pnw by Molmil](/molmil-images/mine/4pnw) | E. coli sliding clamp in complex with (R)-6-bromo-9-(2-((S)-1-carboxy-2-phenylethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | Descriptor: | (2R)-6-bromo-9-(2-{[(1S)-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 (2 Å) | Cite: | Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs. J.Med.Chem., 58, 2015
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8WI5
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![BU of 8wi5 by Molmil](/molmil-images/mine/8wi5) | M5PI-bound hMRP5 | Descriptor: | ATP-binding cassette sub-family C member 5 | Authors: | Liu, Z.M, Huang, Y. | Deposit date: | 2023-09-24 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5. Nat Commun, 15, 2024
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8WI2
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![BU of 8wi2 by Molmil](/molmil-images/mine/8wi2) | RD-hMRP5-inward open | Descriptor: | ATP-binding cassette sub-family C member 5, CYS-GLN-ASP-ALA-LEU-GLU-THR-ALA-ALA-ARG-ALA-GLU-GLY-LEU-SER-LEU-ASP-ALA-SER | Authors: | Liu, Z.M, Huang, Y. | Deposit date: | 2023-09-24 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (4.06 Å) | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5. Nat Commun, 15, 2024
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8JWY
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![BU of 8jwy by Molmil](/molmil-images/mine/8jwy) | Crystal structure of A2AR-T4L in complex with 2-118 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ... | Authors: | Weng, Y, Chen, Y, Xu, Y, Song, G. | Deposit date: | 2023-06-29 | Release date: | 2023-08-16 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors. Sci China Life Sci, 67, 2024
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8JWZ
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![BU of 8jwz by Molmil](/molmil-images/mine/8jwz) | Crystal structure of A2AR-T4L in complex with AB928 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ... | Authors: | Weng, Y, Chen, Y, Xu, Y, Song, G. | Deposit date: | 2023-06-29 | Release date: | 2023-08-16 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors. Sci China Life Sci, 67, 2024
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8WI3
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![BU of 8wi3 by Molmil](/molmil-images/mine/8wi3) | ND-hMRP5-inward open | Descriptor: | ATP-binding cassette sub-family C member 5 | Authors: | Liu, Z.M, Huang, Y. | Deposit date: | 2023-09-24 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5. Nat Commun, 15, 2024
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8WI4
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![BU of 8wi4 by Molmil](/molmil-images/mine/8wi4) | m6-hMRP5 inward open | Descriptor: | ATP-binding cassette sub-family C member 5 | Authors: | Liu, Z.M, Huang, Y. | Deposit date: | 2023-09-24 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5. Nat Commun, 15, 2024
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4N97
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![BU of 4n97 by Molmil](/molmil-images/mine/4n97) | E. coli sliding clamp in complex with 5-nitroindole | Descriptor: | 5-nitro-1H-indole, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 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 (1.97 Å) | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
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4N99
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![BU of 4n99 by Molmil](/molmil-images/mine/4n99) | E. coli sliding clamp in complex with 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid | Descriptor: | 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 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 (2.3 Å) | Cite: | Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach. J.Med.Chem., 57, 2014
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6KWX
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![BU of 6kwx by Molmil](/molmil-images/mine/6kwx) | cryo-EM structure of human PA200 | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Proteasome activator complex subunit 4, [(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[oxidanyl(phosphonooxy)phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] phosphono hydrogen phosphate | Authors: | Ouyang, S, Hongxin, G. | Deposit date: | 2019-09-09 | Release date: | 2020-04-01 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Cryo-EM structures of the human PA200 and PA200-20S complex reveal regulation of proteasome gate opening and two PA200 apertures. Plos Biol., 18, 2020
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4ORD
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![BU of 4ord by Molmil](/molmil-images/mine/4ord) | |