6G6U
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![BU of 6g6u by Molmil](/molmil-images/mine/6g6u) | The dynamic nature of the VDAC1 channels in bilayers: human VDAC1 at 2.7 Angstrom resolution | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, NITRATE ION, Voltage-dependent anion-selective channel protein 1 | Authors: | Razeto, A, Gribbon, P, Loew, C. | Deposit date: | 2018-04-03 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | The dynamic nature of the VDAC1 channels in bilayers as revealed by two crystal structures of the human isoform in bicelles at 2.7 and 3.3 Angstrom resolution: implications for VDAC1 voltage-dependent mechanism and for its oligomerization To Be Published
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6G73
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![BU of 6g73 by Molmil](/molmil-images/mine/6g73) | The dynamic nature of the VDAC1 channels in bilayers: human VDAC1 at 3.3 Angstrom resolution | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Voltage-dependent anion-selective channel protein 1 | Authors: | Razeto, A, Gribbon, P, Loew, C. | Deposit date: | 2018-04-04 | Release date: | 2019-04-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | The dynamic nature of the VDAC1 channels in bilayers as revealed by two crystal structures of the human isoform in bicelles at 2.7 and 3.3 Angstrom resolution: implications for VDAC1 voltage-dependent mechanism and for its oligomerization To Be Published
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7V6X
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![BU of 7v6x by Molmil](/molmil-images/mine/7v6x) | Crystal structure of HPPD complexed with Y18556 | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, 5-methyl-3-[(2-methylphenyl)methyl]-6-[(1~{R},2~{S})-2-oxidanyl-6-oxidanylidene-cyclohexyl]carbonyl-1,2,3-benzotriazin-4-one, COBALT (II) ION | Authors: | Lin, H.Y, Yang, G.F. | Deposit date: | 2021-08-20 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pharmacophore-Oriented Discovery of Novel 1,2,3-Benzotriazine-4-one Derivatives as Potent 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors. J.Agric.Food Chem., 70, 2022
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5JDP
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![BU of 5jdp by Molmil](/molmil-images/mine/5jdp) | E73V mutant of the human voltage-dependent anion channel | Descriptor: | Voltage-dependent anion-selective channel protein 1 | Authors: | Jaremko, M, Jaremko, L, Villinger, S, Schmidt, C, Giller, K, Griesinger, C, Becker, S, Zweckstetter, M. | Deposit date: | 2016-04-17 | Release date: | 2016-08-10 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | High-Resolution NMR Determination of the Dynamic Structure of Membrane Proteins. Angew.Chem.Int.Ed.Engl., 55, 2016
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1EUC
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![BU of 1euc by Molmil](/molmil-images/mine/1euc) | CRYSTAL STRUCTURE OF DEPHOSPHORYLATED PIG HEART, GTP-SPECIFIC SUCCINYL-COA SYNTHETASE | Descriptor: | PHOSPHATE ION, SUCCINYL-COA SYNTHETASE, ALPHA CHAIN, ... | Authors: | Fraser, M.E, James, M.N.G, Bridger, W.A, Wolodko, W.T. | Deposit date: | 2000-04-14 | Release date: | 2000-07-27 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phosphorylated and dephosphorylated structures of pig heart, GTP-specific succinyl-CoA synthetase. J.Mol.Biol., 299, 2000
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1EUD
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![BU of 1eud by Molmil](/molmil-images/mine/1eud) | CRYSTAL STRUCTURE OF PHOSPHORYLATED PIG HEART, GTP-SPECIFIC SUCCINYL-COA SYNTHETASE | Descriptor: | SUCCINYL-COA SYNTHETASE, ALPHA CHAIN, BETA CHAIN, ... | Authors: | Fraser, M.E, James, M.N.G, Bridger, W.A, Wolodko, W.T. | Deposit date: | 2000-04-14 | Release date: | 2000-07-27 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Phosphorylated and dephosphorylated structures of pig heart, GTP-specific succinyl-CoA synthetase. J.Mol.Biol., 299, 2000
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1F1J
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1KMC
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6CL1
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6CL2
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8DGZ
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![BU of 8dgz by Molmil](/molmil-images/mine/8dgz) | Caspase-7 bound to substrate mimic and allosteric inhibitor | Descriptor: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid, Ac-Asp-Glu-Val-Asp-Aldehyde, Caspase-7 | Authors: | Propp, J, Kalenkiewicz, A, Kathryn, F.H, Spies, M.A. | Deposit date: | 2022-06-24 | Release date: | 2023-07-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Allosteric Tuning of Caspase-7: Establishing the Nexus of Structure and Catalytic Power. Chemistry, 29, 2023
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8DJ3
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![BU of 8dj3 by Molmil](/molmil-images/mine/8dj3) | Caspase-7 bound to novel allosteric inhibitor | Descriptor: | 2-[(2-{[(3s,5s,7s)-adamantan-1-yl]sulfamoyl}phenyl)sulfanyl]benzoic acid, Caspase-7 | Authors: | Propp, J, Kalenkiewicz, A, Kathryn, F.H, Spies, M.A. | Deposit date: | 2022-06-29 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Allosteric Tuning of Caspase-7: Establishing the Nexus of Structure and Catalytic Power. Chemistry, 29, 2023
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1RNT
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![BU of 1rnt by Molmil](/molmil-images/mine/1rnt) | RESTRAINED LEAST-SQUARES REFINEMENT OF THE CRYSTAL STRUCTURE OF THE RIBONUCLEASE T1(ASTERISK)2(PRIME)-GUANYLIC ACID COMPLEX AT 1.9 ANGSTROMS RESOLUTION | Descriptor: | GUANOSINE-2'-MONOPHOSPHATE, RIBONUCLEASE T1 ISOZYME | Authors: | Saenger, W, Arni, R, Heinemann, U, Tokuoka, R. | Deposit date: | 1987-07-10 | Release date: | 1987-10-16 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Restrained Least-Squares Refinement of the Crystal Structure of the Ribonuclease T1(Asterisk)2(Prime)-Guanylic Acid Complex at 1.9 Angstroms Resolution Acta Crystallogr.,Sect.B, 43, 1987
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7BKD
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![BU of 7bkd by Molmil](/molmil-images/mine/7bkd) | Formate dehydrogenase - heterodisulfide reductase - formylmethanofuran dehydrogenase complex from Methanospirillum hungatei (heterodislfide reductase core and mobile arm in conformational state 1, composite structure) | Descriptor: | CoB--CoM heterodisulfide reductase iron-sulfur subunit A, CoB--CoM heterodisulfide reductase subunit B, CoB--CoM heterodisulfide reductase subunit C, ... | Authors: | Pfeil-Gardiner, O, Watanabe, T, Shima, S, Murphy, B.J. | Deposit date: | 2021-01-15 | Release date: | 2021-09-29 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Three-megadalton complex of methanogenic electron-bifurcating and CO 2 -fixing enzymes. Science, 373, 2021
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7BKE
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![BU of 7bke by Molmil](/molmil-images/mine/7bke) | Formate dehydrogenase - heterodisulfide reductase - formylmethanofuran dehydrogenase complex from Methanospirillum hungatei (heterodisulfide reductase core and mobile arm in conformational state 2, composite structure) | Descriptor: | CoB--CoM heterodisulfide reductase iron-sulfur subunit A, CoB--CoM heterodisulfide reductase subunit B, CoB--CoM heterodisulfide reductase subunit C, ... | Authors: | Pfeil-Gardiner, O, Watanabe, T, Shima, S, Murphy, B.J. | Deposit date: | 2021-01-15 | Release date: | 2021-09-29 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Three-megadalton complex of methanogenic electron-bifurcating and CO 2 -fixing enzymes. Science, 373, 2021
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7BKB
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![BU of 7bkb by Molmil](/molmil-images/mine/7bkb) | Formate dehydrogenase - heterodisulfide reductase - formylmethanofuran dehydrogenase complex from Methanospirillum hungatei (hexameric, composite structure) | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CoB--CoM heterodisulfide reductase iron-sulfur subunit A, CoB--CoM heterodisulfide reductase subunit B, ... | Authors: | Pfeil-Gardiner, O, Watanabe, T, Shima, S, Murphy, B.J. | Deposit date: | 2021-01-15 | Release date: | 2021-09-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Three-megadalton complex of methanogenic electron-bifurcating and CO 2 -fixing enzymes. Science, 373, 2021
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7BKC
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![BU of 7bkc by Molmil](/molmil-images/mine/7bkc) | Formate dehydrogenase - heterodisulfide reductase - formylmethanofuran dehydrogenase complex from Methanospirillum hungatei (dimeric, composite structure) | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CoB--CoM heterodisulfide reductase iron-sulfur subunit A, CoB--CoM heterodisulfide reductase subunit B, ... | Authors: | Pfeil-Gardiner, O, Watanabe, T, Shima, S, Murphy, B.J. | Deposit date: | 2021-01-15 | Release date: | 2021-09-29 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Three-megadalton complex of methanogenic electron-bifurcating and CO 2 -fixing enzymes. Science, 373, 2021
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1SHL
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![BU of 1shl by Molmil](/molmil-images/mine/1shl) | CASPASE-7 IN COMPLEX WITH FICA ALLOSTERIC INHIBITOR | Descriptor: | 5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-(2-MERCAPTO-ETHYL)-AMIDE, Caspase-7 | Authors: | Hardy, J.A, Lam, J, Nguyen, J.T, O'Brien, T, Wells, J.A. | Deposit date: | 2004-02-25 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of an allosteric site in the caspases Proc.Natl.Acad.Sci.USA, 101, 2004
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1RN1
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![BU of 1rn1 by Molmil](/molmil-images/mine/1rn1) | THREE-DIMENSIONAL STRUCTURE OF GLN 25-RIBONUCLEASE T1 AT 1.84 ANGSTROMS RESOLUTION: STRUCTURAL VARIATIONS AT THE BASE RECOGNITION AND CATALYTIC SITES | Descriptor: | RIBONUCLEASE T1 ISOZYME, SULFATE ION | Authors: | Arni, R.K, Pal, G.P, Ravichandran, K.G, Tulinsky, A, Walz Junior, F.G, Metcalf, P. | Deposit date: | 1991-11-22 | Release date: | 1994-01-31 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Three-dimensional structure of Gln25-ribonuclease T1 at 1.84-A resolution: structural variations at the base recognition and catalytic sites. Biochemistry, 31, 1992
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1SHJ
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![BU of 1shj by Molmil](/molmil-images/mine/1shj) | Caspase-7 in complex with DICA allosteric inhibitor | Descriptor: | 2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAPTO-ETHYL)-ACETAMIDE, Caspase-7, SULFATE ION | Authors: | Hardy, J.A, Lam, J, Nguyen, J.T, O'Brien, T, Wells, J.A. | Deposit date: | 2004-02-25 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of an allosteric site in the caspases Proc.Natl.Acad.Sci.USA, 101, 2004
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7C33
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![BU of 7c33 by Molmil](/molmil-images/mine/7c33) | Macro domain of SARS-CoV-2 in complex with ADP-ribose | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Non-structural protein 3 | Authors: | Lin, M.H, Hsu, C.H. | Deposit date: | 2020-05-11 | Release date: | 2020-11-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.83 Å) | Cite: | Structural, Biophysical, and Biochemical Elucidation of the SARS-CoV-2 Nonstructural Protein 3 Macro Domain. Acs Infect Dis., 6, 2020
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5XDN
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![BU of 5xdn by Molmil](/molmil-images/mine/5xdn) | Crystal structure of human voltage-dependent anion channel 1 (hVDAC1) in P22121 space group | Descriptor: | DECANE, DODECANE, HEXANE, ... | Authors: | Hosaka, T, Kimura-Someya, T, Shirouzu, M. | Deposit date: | 2017-03-28 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Crystal structural characterization reveals novel oligomeric interactions of human voltage-dependent anion channel 1 Protein Sci., 26, 2017
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7MST
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![BU of 7mst by Molmil](/molmil-images/mine/7mst) | Phosphorylated human E105Qa GTP-specific succinyl-CoA synthetase complexed with coenzyme A | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, GLYCEROL, ... | Authors: | Huang, J, Fraser, M.E. | Deposit date: | 2021-05-12 | Release date: | 2022-10-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | The structure of succinyl-CoA synthetase bound to the succinyl-phosphate intermediate clarifies the catalytic mechanism of ATP-citrate lyase Acta Crystallogr.,Sect.F, 78, 2022
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7MSS
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![BU of 7mss by Molmil](/molmil-images/mine/7mss) | Human E105Qa GTP-specific succinyl-CoA synthetase complexed with succinate, magnesium ion and CoA | Descriptor: | COENZYME A, GLYCEROL, MAGNESIUM ION, ... | Authors: | Huang, J, Fraser, M.E. | Deposit date: | 2021-05-12 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The structure of succinyl-CoA synthetase bound to the succinyl-phosphate intermediate clarifies the catalytic mechanism of ATP-citrate lyase Acta Crystallogr.,Sect.F, 78, 2022
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7MSR
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![BU of 7msr by Molmil](/molmil-images/mine/7msr) | Human E105Qa GTP-specific succinyl-CoA synthetase complexed with succinyl-phosphate, magnesium ion and desulfo-coenzyme A | Descriptor: | 1,2-ETHANEDIOL, 4-oxo-4-(phosphonooxy)butanoic acid, DESULFO-COENZYME A, ... | Authors: | Huang, J, Fraser, M.E. | Deposit date: | 2021-05-12 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | The structure of succinyl-CoA synthetase bound to the succinyl-phosphate intermediate clarifies the catalytic mechanism of ATP-citrate lyase Acta Crystallogr.,Sect.F, 78, 2022
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