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4CNI
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BU of 4cni by Molmil
Crystal structure of the Fab portion of Olokizumab in complex with IL- 6
Descriptor: INTERLEUKIN-6, OLOKIZUMAB HEAVY CHAIN, FAB PORTION, ...
Authors:Shaw, S, Bourne, T, Meier, C, Carrington, B, Gelinas, R, Henry, A, Popplewell, A, Adams, R, Baker, T, Rapecki, S, Marshall, D, Neale, H, Lawson, A.
Deposit date:2014-01-22
Release date:2014-04-30
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Characterization of Olokizumab: A Humanized Antibody Targeting Interleukin-6 and Neutralizing Gp130-Signaling.
Mabs, 6, 2014
4XPI
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BU of 4xpi by Molmil
Fe protein independent substrate reduction by nitrogenase variants altered in intramolecular electron transfer
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, ...
Authors:Danyal, K, Rasmusen, A.J, Keable, S.M, Shaw, S, Zadvornyy, O, Duval, S, Dean, D.R, Raugei, S, Peters, J.W, Seefeldt, L.C.
Deposit date:2015-01-17
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Fe protein-independent substrate reduction by nitrogenase MoFe protein variants.
Biochemistry, 54, 2015
8F2R
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BU of 8f2r by Molmil
Human CCC complex
Descriptor: COMM domain-containing protein 1, COMM domain-containing protein 10, COMM domain-containing protein 2, ...
Authors:Healy, M.D, McNally, K.E, Butkovic, R, Chilton, M, Kato, K, Sacharz, J, McConville, C, Moody, E.R.R, Shaw, S, Planelles-Herrero, V.J, Kadapalakere, S.Y, Ross, J, Borucu, U, Palmer, C.S, Chen, K, Croll, T.I, Hall, R.J, Caruana, N.J, Ghai, R, Nguyen, T.H.D, Heesom, K.J, Saitoh, S, Berger, I, Berger-Schaffitzel, C, Williams, T.A, Stroud, D.A, Derivery, E, Collins, B.M, Cullen, P.J.
Deposit date:2022-11-08
Release date:2023-05-24
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Structure of the endosomal Commander complex linked to Ritscher-Schinzel syndrome.
Cell, 186, 2023
8F2U
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BU of 8f2u by Molmil
Human CCC complex
Descriptor: COMM domain-containing protein 1, COMM domain-containing protein 10, COMM domain-containing protein 2, ...
Authors:Healy, M.D, McNally, K.E, Butkovic, R, Chilton, M, Kato, K, Sacharz, J, McConville, C, Moody, E.R.R, Shaw, S, Planelles-Herrero, V.J, Kadapalakere, S.Y, Ross, J, Borucu, U, Palmer, C.S, Chen, K, Croll, T.I, Hall, R.J, Caruana, N.J, Ghai, R, Nguyen, T.H.D, Heesom, K.J, Saitoh, S, Berger, I, Berger-Schaffitzel, C, Williams, T.A, Stroud, D.A, Derivery, E, Collins, B.M, Cullen, P.J.
Deposit date:2022-11-08
Release date:2023-05-24
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Structure of the endosomal Commander complex linked to Ritscher-Schinzel syndrome.
Cell, 186, 2023
7LTE
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BU of 7lte by Molmil
Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA) heteromeric complex (with SAH)
Descriptor: LigA domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE, TP-methylase family protein
Authors:Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F.
Deposit date:2021-02-19
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
7LTC
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BU of 7ltc by Molmil
Structure of the alpha-N-methyltransferase (SonM) and RiPP precursor (SonA) heteromeric complex (no cofactor)
Descriptor: LigA domain-containing protein, TP-methylase family protein
Authors:Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F.
Deposit date:2021-02-19
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
7LTR
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BU of 7ltr by Molmil
Structure of the heteromeric complex between the alpha-N-methyltransferase (SonM) and a truncated construct of the RiPP precursor (SonA) (with SAM)
Descriptor: GLYCEROL, LigA domain-containing protein, S-ADENOSYLMETHIONINE, ...
Authors:Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F.
Deposit date:2021-02-19
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
7LTF
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BU of 7ltf by Molmil
Structure of the alpha-N-methyltransferase (SonM mutant Y58F) and RiPP precursor (SonA) heteromeric complex (no cofactor)
Descriptor: LigA domain-containing protein, TP-methylase family protein
Authors:Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F.
Deposit date:2021-02-19
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
7LTH
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BU of 7lth by Molmil
Structure of the alpha-N-methyltransferase (SonM mutant Y93F) and RiPP precursor (SonA) heteromeric complex (no cofactor)
Descriptor: LigA domain-containing protein, TP-methylase family protein
Authors:Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F.
Deposit date:2021-02-19
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
7LTS
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BU of 7lts by Molmil
Structure of the alpha-N-methyltransferase (SonM mutant R67A) and RiPP precursor (SonA) heteromeric complex (with SAH)
Descriptor: LigA domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE, TP-methylase family protein
Authors:Miller, F.S, Crone, K.K, Jensen, M.R, Shaw, S, Harcombe, W.R, Elias, M, Freeman, M.F.
Deposit date:2021-02-20
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Conformational rearrangements enable iterative backbone N-methylation in RiPP biosynthesis.
Nat Commun, 12, 2021
9D5W
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BU of 9d5w by Molmil
Crystal Structure of the Substrate Binding Domain Protein of the ABC Transporter PBP2_YxeM from Vibrio cholerae
Descriptor: Amino acid ABC transporter, periplasmic amino acid-binding portion, CHLORIDE ION, ...
Authors:Kim, Y, Maltseva, N, Grimshaw, S, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2024-08-14
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the Substrate Binding Domain Protein of the ABC Transporter PBP2_YxeM from Vibrio cholerae
To Be Published
4LES
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BU of 4les by Molmil
2.2 Angstrom Crystal Structure of Conserved Hypothetical Protein from Bacillus anthracis.
Descriptor: CHLORIDE ION, ETHANOL, PHOSPHATE ION, ...
Authors:Minasov, G, Wawrzak, Z, Filippova, E, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-06-26
Release date:2013-08-07
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:2.2 Angstrom Crystal Structure of Conserved Hypothetical Protein from Bacillus anthracis.
TO BE PUBLISHED
2XFK
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BU of 2xfk by Molmil
Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide
Descriptor: BETA-SECRETASE 1, N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE
Authors:Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
Deposit date:2010-05-24
Release date:2010-07-07
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
2XFJ
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BU of 2xfj by Molmil
Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide
Descriptor: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
Authors:Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
Deposit date:2010-05-24
Release date:2010-07-07
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
2XFI
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BU of 2xfi by Molmil
Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino)benzamide
Descriptor: BETA-SECRETASE 1, N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-( PHENYLMETHYL)PROPYL)-3-((METHYLSULFONYL)(PHENYL)AMINO) BENZAMIDE
Authors:Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
Deposit date:2010-05-24
Release date:2010-07-07
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
3L84
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BU of 3l84 by Molmil
High resolution crystal structure of transketolase from Campylobacter jejuni subsp. jejuni NCTC 11168
Descriptor: ACETATE ION, GLYCEROL, Transketolase
Authors:Nocek, B, Makowska-Grzyska, M, Maltseva, N, Grimshaw, S, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-12-29
Release date:2010-02-09
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:High resolution crystal structure of transketolase from Campylobacter jejuni subsp. jejuni NCTC 11168
To be Published
3M34
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BU of 3m34 by Molmil
Crystal structure of transketolase in complex with thiamin diphosphate and calcium ion
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Nocek, B, Makowska-Grzyska, M, Maltseva, N, Grimshaw, S, Joachimiak, A, Anderson, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-03-08
Release date:2010-04-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of transketolase in complex with thiamin diphosphate and calcium ion
To be Published
5HL8
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BU of 5hl8 by Molmil
1.93 Angstrom resolution crystal structure of a pullulanase-specific type II secretion system integral cytoplasmic membrane protein GspL (C-terminal fragment; residues 309-397) from Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044
Descriptor: Type II secretion system protein L
Authors:Halavaty, A.S, Minasov, G, Kiryukhina, O, Grimshaw, S, Light, S, Dubrovska, I, Shuvalova, L, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-01-14
Release date:2016-01-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:1.93 Angstrom resolution crystal structure of a pullulanase-specific type II secretion system integral cytoplasmic membrane protein GspL (C-terminal fragment; residues 309-397) from Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044
To Be Published
6N9M
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BU of 6n9m by Molmil
Crystal Structure of Adenosine Deaminase from Salmonella typhimurium with Pentostatin (Deoxycoformycin)
Descriptor: 2'-DEOXYCOFORMYCIN, Adenosine deaminase, CALCIUM ION, ...
Authors:Maltseva, N, Kim, Y, Grimshaw, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-12-03
Release date:2019-02-06
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Crystal Structure of Adenosine Deaminase from Salmonella typhimurium Complexed with Pentostatin (Deoxycoformycin) (CASP target)
To Be Published
6NFP
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BU of 6nfp by Molmil
1.7 Angstrom Resolution Crystal Structure of Arginase from Bacillus subtilis subsp. subtilis str. 168
Descriptor: 1,2-ETHANEDIOL, Arginase, CHLORIDE ION, ...
Authors:Minasov, G, Wawrzak, Z, Evdokimova, E, Grimshaw, S, Kwon, K, Savchenko, A, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-12-20
Release date:2019-01-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:1.7 Angstrom Resolution Crystal Structure of Arginase from Bacillus subtilis subsp. subtilis str. 168
To Be Published
2VIE
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BU of 2vie by Molmil
Human BACE-1 in complex with N-((1S,2R)-1-benzyl-2-hydroxy-3-((1,1,5- trimethylhexyl)amino)propyl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl) benzamide
Descriptor: BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
Authors:Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
Deposit date:2007-11-30
Release date:2008-01-29
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
6NKJ
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BU of 6nkj by Molmil
1.3 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with (2R)-2-(phosphonooxy)propanoic acid.
Descriptor: (2R)-2-(phosphonooxy)propanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-01-07
Release date:2019-01-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:1.3 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with (2R)-2-(phosphonooxy)propanoic acid.
To Be Published
2VJ7
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BU of 2vj7 by Molmil
Human BACE-1 in complex with 3-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-5-(2-oxo-1-pyrrolidinyl)benzamide
Descriptor: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
Authors:Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
Deposit date:2007-12-06
Release date:2008-01-29
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
2VJ9
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BU of 2vj9 by Molmil
Human BACE-1 in complex with N-((1S,2R)-3-(cyclohexylamino)-2-hydroxy- 1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl) benzamide
Descriptor: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
Authors:Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
Deposit date:2007-12-07
Release date:2008-01-29
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
2VIZ
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BU of 2viz by Molmil
Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(2-oxo- 1-pyrrolidinyl)-5-(propyloxy)benzamide
Descriptor: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)-5-propoxybenzamide
Authors:Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G.
Deposit date:2007-12-06
Release date:2008-01-29
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Bace-1 Inhibitors Part 1: Identification of Novel Hydroxy Ethylamines (Heas).
Bioorg.Med.Chem.Lett., 18, 2008

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