5ALA
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![BU of 5ala by Molmil](/molmil-images/mine/5ala) | Structure of Leishmania major peroxidase D211R mutant (low res) | Descriptor: | ASCORBATE PEROXIDASE, CALCIUM ION, POTASSIUM ION, ... | Authors: | Chreifi, G, Hollingsworth, S.A, Li, H, Tripathi, S, Arce, A.P, Magana-Garcia, H.I, Poulos, T.L. | Deposit date: | 2015-03-07 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Enzymatic Mechanism of Leishmania major Peroxidase and the Critical Role of Specific Ionic Interactions. Biochemistry, 54, 2015
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5AL9
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![BU of 5al9 by Molmil](/molmil-images/mine/5al9) | Structure of Leishmania major peroxidase D211R mutant (high res) | Descriptor: | ASCORBATE PEROXIDASE, CALCIUM ION, POTASSIUM ION, ... | Authors: | Chreifi, G, Hollingsworth, S.A, Li, H, Tripathi, S, Arce, A.P, Magana-Garcia, H.I, Poulos, T.L. | Deposit date: | 2015-03-07 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Enzymatic Mechanism of Leishmania major Peroxidase and the Critical Role of Specific Ionic Interactions. Biochemistry, 54, 2015
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5AMM
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![BU of 5amm by Molmil](/molmil-images/mine/5amm) | Structure of Leishmania major peroxidase D211N mutant | Descriptor: | ASCORBATE PEROXIDASE, CALCIUM ION, POTASSIUM ION, ... | Authors: | Chreifi, G, Fields, J.B, Hollingsworth, S.A, Heyden, M, Arce, A.P, Magana-Garcia, H.I, Poulos, T.L, Tobias, D.J. | Deposit date: | 2015-03-11 | Release date: | 2015-12-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | "Bind and Crawl" Association Mechanism of Leishmania Major Peroxidase and Cytochrome C Revealed by Brownian and Molecular Dynamics Simulations. Biochemistry, 54, 2015
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7L1U
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![BU of 7l1u by Molmil](/molmil-images/mine/7l1u) | Orexin Receptor 2 (OX2R) in Complex with G Protein and Natural Peptide-Agonist Orexin B (OxB) | Descriptor: | Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | Deposit date: | 2020-12-15 | Release date: | 2021-02-10 | Last modified: | 2021-02-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation. Nat Commun, 12, 2021
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7L1V
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![BU of 7l1v by Molmil](/molmil-images/mine/7l1v) | Orexin Receptor 2 (OX2R) in Complex with G Protein and Small-Molecule Agonist Compound 1 | Descriptor: | 4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide, Engineered Guanine nucleotide-binding protein subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Hong, C, Byrne, N.J, Zamlynny, B, Tummala, S, Xiao, L, Shipman, J.M, Partridge, A.T, Minnick, C, Breslin, M.J, Rudd, M.T, Stachel, S.J, Rada, V.L, Kern, J.C, Armacost, K.A, Hollingsworth, S.A, O'Brien, J.A, Hall, D.L, McDonald, T.P, Strickland, C, Brooun, A, Soisson, S.M, Hollenstein, K. | Deposit date: | 2020-12-15 | Release date: | 2021-02-10 | Last modified: | 2021-02-17 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation. Nat Commun, 12, 2021
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6DKT
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![BU of 6dkt by Molmil](/molmil-images/mine/6dkt) | |
8SK5
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![BU of 8sk5 by Molmil](/molmil-images/mine/8sk5) | Crystal structure of the SARS-CoV-2 neutralizing VHH 7A9 bound to the spike receptor binding domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, anti-SARS-CoV-2 receptor binding domain VHH | Authors: | Noland, C.L, Pande, K, Zhang, L, Zhou, H, Galli, J, Eddins, M, Gomez-Llorente, Y. | Deposit date: | 2023-04-18 | Release date: | 2023-08-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.011 Å) | Cite: | Discovery and multimerization of cross-reactive single-domain antibodies against SARS-like viruses to enhance potency and address emerging SARS-CoV-2 variants. Sci Rep, 13, 2023
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7MD5
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![BU of 7md5 by Molmil](/molmil-images/mine/7md5) | Insulin receptor ectodomain dimer complexed with two IRPA-9 partial agonists | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gomez-Llorente, Y, Zhou, H, Scapin, G. | Deposit date: | 2021-04-03 | Release date: | 2022-02-23 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (5.2 Å) | Cite: | Functionally selective signaling and broad metabolic benefits by novel insulin receptor partial agonists. Nat Commun, 13, 2022
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7MD4
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![BU of 7md4 by Molmil](/molmil-images/mine/7md4) | Insulin receptor ectodomain dimer complexed with two IRPA-3 partial agonists | Descriptor: | Insulin B chain, Insulin chain A, Isoform Short of Insulin receptor, ... | Authors: | Gomez-Llorente, Y, Zhou, H, Scapin, G. | Deposit date: | 2021-04-03 | Release date: | 2022-02-23 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Functionally selective signaling and broad metabolic benefits by novel insulin receptor partial agonists. Nat Commun, 13, 2022
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6NPK
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![BU of 6npk by Molmil](/molmil-images/mine/6npk) | Structure of the TM domain | Descriptor: | Solute carrier family 12 (sodium/potassium/chloride transporter), member 2 | Authors: | Feng, L, Liao, M.F, Orlando, B, Zhang, J.R. | Deposit date: | 2019-01-17 | Release date: | 2019-07-31 | Last modified: | 2019-08-28 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure and mechanism of the cation-chloride cotransporter NKCC1. Nature, 572, 2019
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6NPJ
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![BU of 6npj by Molmil](/molmil-images/mine/6npj) | Structure of the NKCC1 CTD | Descriptor: | Sodium-potassium-chloride cotransporter 1 | Authors: | Feng, L, Liao, M.F, Orlando, B, Zhang, J.R. | Deposit date: | 2019-01-17 | Release date: | 2019-07-31 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure and mechanism of the cation-chloride cotransporter NKCC1. Nature, 572, 2019
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6N4B
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![BU of 6n4b by Molmil](/molmil-images/mine/6n4b) | Cannabinoid Receptor 1-G Protein Complex | Descriptor: | CHOLESTEROL, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Krishna Kumar, K, Shalev-Benami, M, Hu, H, Weis, W.I, Kobilka, B.K, Skiniotis, G. | Deposit date: | 2018-11-18 | Release date: | 2019-01-30 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of a Signaling Cannabinoid Receptor 1-G Protein Complex. Cell, 176, 2019
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6NPL
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![BU of 6npl by Molmil](/molmil-images/mine/6npl) | Cryo-EM structure of NKCC1 | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Feng, L, Liao, M.F, Orlando, B, Zhang, J.R. | Deposit date: | 2019-01-17 | Release date: | 2019-07-31 | Last modified: | 2019-08-28 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure and mechanism of the cation-chloride cotransporter NKCC1. Nature, 572, 2019
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6NPH
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![BU of 6nph by Molmil](/molmil-images/mine/6nph) | Structure of NKCC1 TM domain | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Feng, L, Liao, M.F, Orlando, B, Zhang, J.R. | Deposit date: | 2019-01-17 | Release date: | 2019-07-31 | Last modified: | 2020-01-29 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure and mechanism of the cation-chloride cotransporter NKCC1. Nature, 572, 2019
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4OXX
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![BU of 4oxx by Molmil](/molmil-images/mine/4oxx) | |
4L6G
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![BU of 4l6g by Molmil](/molmil-images/mine/4l6g) | Crystal Structure of P450cin Y81F mutant, crystallized in 7 mM 1,8-cineole | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, P450cin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Madrona, Y, Poulos, T.L. | Deposit date: | 2013-06-12 | Release date: | 2013-07-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.371 Å) | Cite: | P450cin active site water: implications for substrate binding and solvent accessibility. Biochemistry, 52, 2013
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4L77
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![BU of 4l77 by Molmil](/molmil-images/mine/4l77) | P450cin Active Site Water: Implications for Substrate Binding and Solvent Accessibility | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, DI(HYDROXYETHYL)ETHER, P450cin, ... | Authors: | Madrona, Y, Poulos, T.L. | Deposit date: | 2013-06-13 | Release date: | 2013-07-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.379 Å) | Cite: | P450cin active site water: implications for substrate binding and solvent accessibility. Biochemistry, 52, 2013
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4LHT
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![BU of 4lht by Molmil](/molmil-images/mine/4lht) | Crystal Structure of P450cin Y81F mutant, crystallized in 3 mM 1,8-cineole | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Madrona, Y, Poulos, T.L. | Deposit date: | 2013-07-01 | Release date: | 2013-07-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.137 Å) | Cite: | P450cin active site water: implications for substrate binding and solvent accessibility. Biochemistry, 52, 2013
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4D3V
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![BU of 4d3v by Molmil](/molmil-images/mine/4d3v) | |
4D3M
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![BU of 4d3m by Molmil](/molmil-images/mine/4d3m) | |
4D3J
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![BU of 4d3j by Molmil](/molmil-images/mine/4d3j) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine) | Descriptor: | 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2014-10-22 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors. J.Med.Chem., 58, 2015
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4D3K
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![BU of 4d3k by Molmil](/molmil-images/mine/4d3k) | Structure of Bacillus subtilis nitric oxide synthase in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine) | Descriptor: | 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2014-10-22 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.017 Å) | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors. J.Med.Chem., 58, 2015
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4D3N
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4D3U
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![BU of 4d3u by Molmil](/molmil-images/mine/4d3u) | |
4D3I
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![BU of 4d3i by Molmil](/molmil-images/mine/4d3i) | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-((5-(aminomethyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4- methylpyridin-2-amine) | Descriptor: | 6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine), GLYCEROL, N-PROPANOL, ... | Authors: | Holden, J.K, Poulos, T.L. | Deposit date: | 2014-10-22 | Release date: | 2015-01-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors. J.Med.Chem., 58, 2015
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