7M8H
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![BU of 7m8h by Molmil](/molmil-images/mine/7m8h) | Structure of Memo1 C244S metal binding site mutant at 1.75A | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Boniecki, M.T, Uhlemann, E.E, Dmitriev, O.Y. | Deposit date: | 2021-03-29 | Release date: | 2022-04-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | MEMO1 binds iron and modulates iron homeostasis in cancer cells. Elife, 13, 2024
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7MKT
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![BU of 7mkt by Molmil](/molmil-images/mine/7mkt) | Crystal structure of r(GU)11G-NMM complex | Descriptor: | N-METHYLMESOPORPHYRIN, POTASSIUM ION, RNA (5'-R(*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*G)-3') | Authors: | Bingman, C.A, Roschdi, S, Nomura, Y, Butcher, S.E. | Deposit date: | 2021-04-26 | Release date: | 2022-11-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | An atypical RNA quadruplex marks RNAs as vectors for gene silencing. Nat.Struct.Mol.Biol., 29, 2022
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4IBG
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![BU of 4ibg by Molmil](/molmil-images/mine/4ibg) | Ebola virus VP35 bound to small molecule | Descriptor: | GLYCEROL, PHOSPHATE ION, Polymerase cofactor VP35, ... | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.413 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4IBB
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![BU of 4ibb by Molmil](/molmil-images/mine/4ibb) | Ebola virus VP35 bound to small molecule | Descriptor: | Polymerase cofactor VP35, {4-[(5R)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-12-08 | Release date: | 2014-02-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4IBD
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![BU of 4ibd by Molmil](/molmil-images/mine/4ibd) | Ebola virus VP35 bound to small molecule | Descriptor: | 5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-methylbenzoic acid, GLYCEROL, MAGNESIUM ION, ... | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4IBJ
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![BU of 4ibj by Molmil](/molmil-images/mine/4ibj) | Ebola virus VP35 bound to small molecule | Descriptor: | 3-{(5S)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35 | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4IBC
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![BU of 4ibc by Molmil](/molmil-images/mine/4ibc) | Ebola virus VP35 bound to small molecule | Descriptor: | DIMETHYL SULFOXIDE, Polymerase cofactor VP35, {4-[(2R)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.745 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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3O7L
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![BU of 3o7l by Molmil](/molmil-images/mine/3o7l) | |
3NWX
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![BU of 3nwx by Molmil](/molmil-images/mine/3nwx) | X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor | Descriptor: | N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease | Authors: | Torbeev, V.Y, Kent, S.B.H. | Deposit date: | 2010-07-12 | Release date: | 2011-11-02 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
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3NXN
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![BU of 3nxn by Molmil](/molmil-images/mine/3nxn) | X-ray structure of ester chemical analogue 'covalent dimer' [Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor | Descriptor: | N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease covalent dimer | Authors: | Torbeev, V.Y, Kent, S.B.H. | Deposit date: | 2010-07-14 | Release date: | 2011-11-02 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
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3NYG
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![BU of 3nyg by Molmil](/molmil-images/mine/3nyg) | |
3NXE
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![BU of 3nxe by Molmil](/molmil-images/mine/3nxe) | |
4IBI
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![BU of 4ibi by Molmil](/molmil-images/mine/4ibi) | Ebola virus VP35 bound to small molecule | Descriptor: | 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35 | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.473 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4IBE
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![BU of 4ibe by Molmil](/molmil-images/mine/4ibe) | Ebola virus VP35 bound to small molecule | Descriptor: | 5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoic acid, GLYCEROL, Polymerase cofactor VP35 | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4IBF
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![BU of 4ibf by Molmil](/molmil-images/mine/4ibf) | Ebola virus VP35 bound to small molecule | Descriptor: | (4-{(2R)-2-(4-bromothiophen-2-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetic acid, Polymerase cofactor VP35 | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.291 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4IBK
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![BU of 4ibk by Molmil](/molmil-images/mine/4ibk) | Ebola virus VP35 bound to small molecule | Descriptor: | 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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2I7Z
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![BU of 2i7z by Molmil](/molmil-images/mine/2i7z) | |
2I7E
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![BU of 2i7e by Molmil](/molmil-images/mine/2i7e) | |
3HAU
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![BU of 3hau by Molmil](/molmil-images/mine/3hau) | |
3HDK
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![BU of 3hdk by Molmil](/molmil-images/mine/3hdk) | Crystal structure of chemically synthesized [Aib51/51']HIV-1 protease | Descriptor: | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [Aib51/51']HIV-1 protease | Authors: | Torbeev, V.Y, Kent, S.B.H. | Deposit date: | 2009-05-07 | Release date: | 2010-04-28 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
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3FSM
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![BU of 3fsm by Molmil](/molmil-images/mine/3fsm) | |
3HLO
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![BU of 3hlo by Molmil](/molmil-images/mine/3hlo) | |
3IAW
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![BU of 3iaw by Molmil](/molmil-images/mine/3iaw) | |
3HBO
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![BU of 3hbo by Molmil](/molmil-images/mine/3hbo) | Crystal structure of chemically synthesized [D-Ala51/51']HIV-1 protease | Descriptor: | N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [D-Ala51/51']HIV-1 protease | Authors: | Torbeev, V.Y, Kent, S.B.H. | Deposit date: | 2009-05-04 | Release date: | 2010-05-26 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
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3HAW
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![BU of 3haw by Molmil](/molmil-images/mine/3haw) | |