4FZV
 
 | | Crystal structure of the human MTERF4:NSUN4:SAM ternary complex | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Putative methyltransferase NSUN4, ... | | Authors: | Guja, K.E, Yakubovskaya, E, Mejia, E, Castano, S, Hambardjieva, E, Choi, W.S, Garcia-Diaz, M. | | Deposit date: | 2012-07-08 | | Release date: | 2012-10-03 | | Last modified: | 2012-11-28 | | Method: | X-RAY DIFFRACTION (1.9996 Å) | | Cite: | Structure of the Essential MTERF4:NSUN4 Protein Complex Reveals How an MTERF Protein Collaborates to Facilitate rRNA Modification.
Structure, 20, 2012
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5MTF
 | | A modular route to novel potent and selective inhibitors of rhomboid intramembrane proteases | | Descriptor: | CHLORIDE ION, Rhomboid protease GlpG, inhibitor, ... | | Authors: | Ticha, A, Stanchev, S, Vinothkumar, K.R, Mikles, D.C, Pachl, P, Svehlova, K, Nguyen, M.T.N, Verhelst, S.H.L, Johnson, D, Bachovchin, D, Lepsik, M, Majer, P, Strisovsky, K. | | Deposit date: | 2017-01-09 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | General and Modular Strategy for Designing Potent, Selective, and Pharmacologically Compliant Inhibitors of Rhomboid Proteases.
Cell Chem Biol, 24, 2017
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8H3M
 | | Conformation 1 of SARS-CoV-2 Omicron BA.1 Variant Spike protein complexed with MO1 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MO1 heavy chain, Spike glycoprotein | | Authors: | Ishimaru, H, Nishimura, M, Sutandhio, S, Shigematsu, H, Kato, K, Hasegawa, N, Mori, Y. | | Deposit date: | 2022-10-09 | | Release date: | 2023-05-10 | | Last modified: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (2.48 Å) | | Cite: | Identification and Analysis of Monoclonal Antibodies with Neutralizing Activity against Diverse SARS-CoV-2 Variants.
J.Virol., 97, 2023
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8H3N
 | | Conformation 2 of SARS-CoV-2 Omicron BA.1 Variant Spike protein complexed with MO1 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MO1 heavy-chain, MO1 light chain, ... | | Authors: | Ishimaru, H, Nishimura, M, Sutandhio, S, Shigematsu, H, Kato, K, Hasegawa, N, Mori, Y. | | Deposit date: | 2022-10-09 | | Release date: | 2023-05-10 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.73 Å) | | Cite: | Identification and Analysis of Monoclonal Antibodies with Neutralizing Activity against Diverse SARS-CoV-2 Variants.
J.Virol., 97, 2023
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2ROZ
 | | Structure of the C-terminal PID Domain of Fe65L1 Complexed with the Cytoplasmic Tail of APP Reveals a Novel Peptide Binding Mode | | Descriptor: | Amyloid beta A4 precursor protein-binding family B member 2, peptide from Amyloid beta A4 protein | | Authors: | Li, H, Koshiba, S, Tochio, N, Watanabe, S, Harada, T, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2008-04-25 | | Release date: | 2008-07-22 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of the C-terminal phosphotyrosine interaction domain of Fe65L1 complexed with the cytoplasmic tail of amyloid precursor protein reveals a novel peptide binding mode
J.Biol.Chem., 283, 2008
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1XMH
 | | Structure of Co(II) reconstituted methane monooxygenase hydroxylase from M. capsulatus (Bath) | | Descriptor: | COBALT (II) ION, Methane monooxygenase component A alpha chain, Methane monooxygenase component A beta chain, ... | | Authors: | Sazinsky, M.H, Merkx, M, Cadieux, E, Tang, S, Lippard, S.J. | | Deposit date: | 2004-10-02 | | Release date: | 2005-01-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Preparation and X-ray Structures of Metal-Free, Dicobalt and Dimanganese Forms of Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath)
Biochemistry, 43, 2004
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2RRF
 | | The solution structure of the C-terminal region of Zinc finger FYVE domain-containing protein 21 | | Descriptor: | Zinc finger FYVE domain-containing protein 21 | | Authors: | Koshiba, S, Tomizawa, T, Hayashi, F, Tochio, N, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S. | | Deposit date: | 2010-08-03 | | Release date: | 2011-08-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | ZF21 protein, a regulator of the disassembly of focal adhesions and cancer metastasis, contains a novel noncanonical pleckstrin homology domain
J.Biol.Chem., 286, 2011
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6GG8
 | | Mineralocorticoid receptor in complex with (s)-13 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Mineralocorticoid receptor, Nuclear receptor coactivator 1, ... | | Authors: | Edman, K, Aagaard, A, Tangefjord, S. | | Deposit date: | 2018-05-03 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
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2VIE
 | | 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
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1D0E
 | | CRYSTAL STRUCTURES OF THE N-TERMINAL FRAGMENT FROM MOLONEY MURINE LEUKEMIA VIRUS REVERSE TRANSCRIPTASE COMPLEXED WITH NUCLEIC ACID: FUNCTIONAL IMPLICATIONS FOR TEMPLATE-PRIMER BINDING TO THE FINGERS DOMAIN | | Descriptor: | 5'-D(*TP*TP*TP*CP*AP*TP*GP*CP*AP*TP*G)-3', REVERSE TRANSCRIPTASE | | Authors: | Najmudin, S, Cote, M.L, Sun, D, Yohannan, S, Montano, S.P, Gu, J, Georgiadis, M.M. | | Deposit date: | 1999-09-09 | | Release date: | 2000-04-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of an N-terminal fragment from Moloney murine leukemia virus reverse transcriptase complexed with nucleic acid: functional implications for template-primer binding to the fingers domain
J.Mol.Biol., 296, 2000
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2VJ7
 | | 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: | 2024-10-23 | | 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
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2VJ9
 | | 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: | 2024-10-09 | | 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
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6GGG
 | | Mineralocorticoid receptor in complex with (s)-13 | | Descriptor: | 2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, CHLORIDE ION, Mineralocorticoid receptor, ... | | Authors: | Edman, K, Aagaard, A, Tangefjord, S. | | Deposit date: | 2018-05-03 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
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5NUO
 | | Structural basis for maintenance of bacterial outer membrane lipid asymmetry | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ABC transporter permease, Outer membrane protein F, ... | | Authors: | Abellon-Ruiz, J, Kaptan, S.S, Basle, A, Claudi, B, Bumann, D, Kleinekathofer, U, van den Berg, B. | | Deposit date: | 2017-05-01 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for maintenance of bacterial outer membrane lipid asymmetry.
Nat Microbiol, 2, 2017
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2EC5
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1PJA
 | | The crystal structure of palmitoyl protein thioesterase-2 reveals the basis for divergent substrate specificities of the two lysosomal thioesterases (PPT1 and PPT2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Palmitoyl-protein thioesterase 2 precursor | | Authors: | Calero, G, Gupta, P, Nonato, M.C, Tandel, S, Biehl, E.R, Hofmann, S.L, Clardy, J. | | Deposit date: | 2003-06-02 | | Release date: | 2003-09-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The crystal structure of palmitoyl protein thioesterase-2 (PPT2) reveals the basis for divergent substrate specificities of the two lysosomal thioesterases, PPT1 and PPT2.
J.Biol.Chem., 278, 2003
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2D06
 | | Human Sult1A1 Complexed With Pap and estradiol | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, ESTRADIOL, Sulfotransferase 1A1 | | Authors: | Gamage, N.U, Tsvetanov, S, Duggleby, R.G, McManus, M.E, Martin, J.L. | | Deposit date: | 2005-07-25 | | Release date: | 2005-10-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of human SULT1A1 crystallized with estradiol. An insight into active site plasticity and substrate inhibition with multi-ring substrates
J.Biol.Chem., 280, 2005
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2VIY
 | | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(pentylsulfonyl)benzamide | | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)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 (1.82 Å) | | Cite: | Bace-1 Inhibitors Part 1: Identification of Novel Hydroxy Ethylamines (Heas).
Bioorg.Med.Chem.Lett., 18, 2008
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2EBF
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5NUP
 | | Structural basis for maintenance of bacterial outer membrane lipid asymmetry | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ABC transporter permease, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Abellon-Ruiz, J, Kaptan, S.S, Basle, A, Claudi, B, Bumann, D, Kleinekathofer, U, van den Berg, B. | | Deposit date: | 2017-05-01 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for maintenance of bacterial outer membrane lipid asymmetry.
Nat Microbiol, 2, 2017
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5NUQ
 | | Structural basis for maintenance of bacterial outer membrane lipid asymmetry | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Outer membrane protein F, Probable phospholipid-binding lipoprotein mlaA | | Authors: | Abellon-Ruiz, J, Kaptan, S.S, Basle, A, Claudi, B, Bumann, D, Kleinekathofer, U, van den Berg, B. | | Deposit date: | 2017-05-01 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for maintenance of bacterial outer membrane lipid asymmetry.
Nat Microbiol, 2, 2017
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5NUR
 | | Structural basis for maintenance of bacterial outer membrane lipid asymmetry | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose-(1-6)-2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(3-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose-(1-6)-2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, ... | | Authors: | Abellon-Ruiz, J, Kaptan, S.S, Basle, A, Claudi, B, Bumann, D, Kleinekathofer, U, van den Berg, B. | | Deposit date: | 2017-05-01 | | Release date: | 2017-10-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Structural basis for maintenance of bacterial outer membrane lipid asymmetry.
Nat Microbiol, 2, 2017
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1XMG
 | | Crystal structure of apo methane monooxygenase hydroxylase from M. capsulatus (Bath) | | Descriptor: | CALCIUM ION, Methane monooxygenase component A alpha chain, Methane monooxygenase component A beta chain, ... | | Authors: | Sazinsky, M.H, Merkx, M, Cadieux, E, Tang, S, Lippard, S.J. | | Deposit date: | 2004-10-02 | | Release date: | 2005-01-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Preparation and X-ray Structures of Metal-Free, Dicobalt and Dimanganese Forms of Soluble Methane Monooxygenase Hydroxylase from Methylococcus capsulatus (Bath)
Biochemistry, 43, 2004
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6GEV
 | | Mineralocorticoid receptor in complex with (s)-13 | | Descriptor: | 6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one, GLYCEROL, Mineralocorticoid receptor, ... | | Authors: | Edman, K, Aagaard, A, Tangefjord, S. | | Deposit date: | 2018-04-27 | | Release date: | 2019-01-09 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
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2VIJ
 | | Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(1,2,3,4- tetrahydro-1-naphthalenylamino)propyl)benzamide | | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide | | Authors: | Beswick, P, Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Gleave, R, Hawkins, J, Hussain, I, Johnson, C.N, Macpherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Skidmore, J, Soleil, V, Smith, K.J, Stanway, S, Stemp, G, Stuart, A, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | Deposit date: | 2007-12-04 | | Release date: | 2008-01-29 | | Last modified: | 2019-09-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bace-1 Inhibitors Part 3: Identification of Hydroxy Ethylamines (Heas) with Nanomolar Potency in Cells.
Bioorg.Med.Chem.Lett., 18, 2008
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