6N5T
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![BU of 6n5t by Molmil](/molmil-images/mine/6n5t) | Structure of Human pir-miRNA-378a Apical Loop Fused to the YdaO Riboswitch Scaffold | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Shoffner, G.M, Peng, Z, Guo, F. | Deposit date: | 2018-11-22 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.787 Å) | Cite: | Three-dimensional structures of pri-miRNA apical junctions and loops revealed by scaffold-directed crystallography To Be Published
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5AX0
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![BU of 5ax0 by Molmil](/molmil-images/mine/5ax0) | Crystal Structure of the Cell-Free Synthesized Membrane Protein, Acetabularia Rhodopsin I, at 1.52 angstrom | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DECANE, DODECANE, ... | Authors: | Furuse, M, Hosaka, T, Kimura-Someya, T, Yokoyama, S, Shirouzu, M. | Deposit date: | 2015-07-10 | Release date: | 2015-08-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.521 Å) | Cite: | Structural basis for the slow photocycle and late proton release in Acetabularia rhodopsin I from the marine plant Acetabularia acetabulum Acta Crystallogr.,Sect.D, 71, 2015
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4DU2
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![BU of 4du2 by Molmil](/molmil-images/mine/4du2) | cytochrome P450 BM3h-B7 MRI sensor bound to dopamine | Descriptor: | L-DOPAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant B7 | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | Deposit date: | 2012-02-21 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin. J.Mol.Biol., 422, 2012
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1YCF
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![BU of 1ycf by Molmil](/molmil-images/mine/1ycf) | Oxidized (di-ferric) FprA from Moorella thermoacetica | Descriptor: | FLAVIN MONONUCLEOTIDE, MU-OXO-DIIRON, Nitric oxide reductase, ... | Authors: | Silaghi-Dumitrescu, R, Kurtz, D.M, Lanzilotta, W.N. | Deposit date: | 2004-12-22 | Release date: | 2005-04-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | X-ray crystal structures of Moorella thermoacetica FprA. Novel diiron site structure and mechanistic insights into a scavenging nitric oxide reductase. Biochemistry, 44, 2005
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1YCG
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![BU of 1ycg by Molmil](/molmil-images/mine/1ycg) | X-ray Structures of Moorella thermoacetica FprA. Novel Diiron Site Structure and Mechanistic Insights into a Scavenging Nitric Oxide Reductase | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, MU-OXO-DIIRON, ... | Authors: | Silaghi-Dumitrescu, R, Kurtz, D.M, Lanzilotta, W.N. | Deposit date: | 2004-12-22 | Release date: | 2005-04-19 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray crystal structures of Moorella thermoacetica FprA. Novel diiron site structure and mechanistic insights into a scavenging nitric oxide reductase. Biochemistry, 44, 2005
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7LMI
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![BU of 7lmi by Molmil](/molmil-images/mine/7lmi) | SARS-CoV-1 3CLPro in complex with N-(4-(1H-pyrazol-4-yl)phenyl)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase, GLYCEROL | Authors: | Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R. | Deposit date: | 2021-02-05 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.707 Å) | Cite: | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ). J.Med.Chem., 65, 2022
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7LMD
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![BU of 7lmd by Molmil](/molmil-images/mine/7lmd) | SARS-CoV-2 3CLPro in complex with 2-(benzotriazol-1-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]-N-(3-thienylmethyl)acetamide | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase | Authors: | Goins, C.M, Arya, T, Macdonald, J.D, Stauffer, S.R. | Deposit date: | 2021-02-05 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ). J.Med.Chem., 65, 2022
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7LME
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![BU of 7lme by Molmil](/molmil-images/mine/7lme) | SARS-CoV-2 3CLPro in complex with N-[4-[[2-(benzotriazol-1-yl)acetyl]-(3-thienylmethyl)amino]phenyl]cyclopropanecarboxamide | Descriptor: | 3C-like proteinase, ~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide | Authors: | Goins, C.M, Arya, T, Macdonald, J.D, Stauffer, S.R. | Deposit date: | 2021-02-05 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ). J.Med.Chem., 65, 2022
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7LMH
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![BU of 7lmh by Molmil](/molmil-images/mine/7lmh) | SARS-CoV-1 3CLPro in complex with 2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(4-(pyridin-3-yl)phenyl)-N-(thiophen-3-ylmethyl)acetamide | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-(4-pyridin-3-ylphenyl)-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase, GLYCEROL | Authors: | Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R. | Deposit date: | 2021-02-05 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ). J.Med.Chem., 65, 2022
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7LMJ
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![BU of 7lmj by Molmil](/molmil-images/mine/7lmj) | SARS-CoV-1 3CLPro in complex with 2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(3-chlorobenzyl)-N-(4-(2-oxo-1,2-dihydropyridin-3-yl)phenyl)acetamide | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(2-oxidanylidene-1~{H}-pyridin-3-yl)phenyl]ethanamide, 3C-like proteinase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R. | Deposit date: | 2021-02-05 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.686 Å) | Cite: | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ). J.Med.Chem., 65, 2022
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7LMF
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![BU of 7lmf by Molmil](/molmil-images/mine/7lmf) | SARS-CoV-2 3CLPro in complex with 2-(benzotriazol-1-yl)-N-[4-(1H-imidazol-4-yl)phenyl]-N-(3-thienylmethyl)acetamide | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase | Authors: | Goins, C.M, Arya, T, Macdonald, J.D, Stauffer, S.R. | Deposit date: | 2021-02-05 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ). J.Med.Chem., 65, 2022
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7LMG
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![BU of 7lmg by Molmil](/molmil-images/mine/7lmg) | SARS-CoV-1 3CLPro in complex with N-(4-(1H-imidazol-4-yl)phenyl)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide | Descriptor: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R. | Deposit date: | 2021-02-05 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ). J.Med.Chem., 65, 2022
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7M1X
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![BU of 7m1x by Molmil](/molmil-images/mine/7m1x) | |
7C2P
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![BU of 7c2p by Molmil](/molmil-images/mine/7c2p) | Structure of Egk Peptide | Descriptor: | Plant defensing Egk | Authors: | El Sahili, A. | Deposit date: | 2020-05-08 | Release date: | 2020-09-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Modulation of Lymphocyte Potassium Channel KV1.3 by Membrane-Penetrating, Joint-Targeting Immunomodulatory Plant Defensin. Acs Pharmacol Transl Sci, 3, 2020
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7C31
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![BU of 7c31 by Molmil](/molmil-images/mine/7c31) | Crystal structure of the grapevine defensin VvK1 | Descriptor: | Knot1 domain-containing protein | Authors: | Chen, M.W, Chang, S.C, Chandy, K.G, Luo, D. | Deposit date: | 2020-05-10 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Modulation of Lymphocyte Potassium Channel KV1.3 by Membrane-Penetrating, Joint-Targeting Immunomodulatory Plant Defensin. Acs Pharmacol Transl Sci, 3, 2020
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5C78
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![BU of 5c78 by Molmil](/molmil-images/mine/5c78) | |
7MN3
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![BU of 7mn3 by Molmil](/molmil-images/mine/7mn3) | Homotarsinin monomer - Htr-M | Descriptor: | Homotarsinin | Authors: | Verly, R.M. | Deposit date: | 2021-04-30 | Release date: | 2021-07-14 | Method: | SOLUTION NMR | Cite: | Structure and membrane interactions of the homodimeric antibiotic peptide homotarsinin. Sci Rep, 7, 2017
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7M72
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![BU of 7m72 by Molmil](/molmil-images/mine/7m72) | MHC-like protein complex structure | Descriptor: | (3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxy-15-methylhexadecan-2-yl]-3-hydroxyheptadecanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Thirunavukkarasu, P, Le Nours, J, Rossjohn, J. | Deposit date: | 2021-03-26 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Host immunomodulatory lipids created by symbionts from dietary amino acids. Nature, 600, 2021
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7MPK
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![BU of 7mpk by Molmil](/molmil-images/mine/7mpk) | Crystal structure of TagA with UDP-GlcNAc | Descriptor: | N-acetylglucosaminyldiphosphoundecaprenol N-acetyl-beta-D-mannosaminyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | Authors: | Martinez, O.E, Cascio, D, Clubb, R.T. | Deposit date: | 2021-05-04 | Release date: | 2021-12-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.993 Å) | Cite: | Insight into the molecular basis of substrate recognition by the wall teichoic acid glycosyltransferase TagA. J.Biol.Chem., 298, 2021
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7MFS
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![BU of 7mfs by Molmil](/molmil-images/mine/7mfs) | |
7MFN
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![BU of 7mfn by Molmil](/molmil-images/mine/7mfn) | |
7MQT
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![BU of 7mqt by Molmil](/molmil-images/mine/7mqt) | |
7MY3
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![BU of 7my3 by Molmil](/molmil-images/mine/7my3) | |
7MZK
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![BU of 7mzk by Molmil](/molmil-images/mine/7mzk) | SARS-CoV-2 receptor binding domain bound to Fab WCSL 129 and Fab PDI 96 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ... | Authors: | Pymm, P, Dietrich, M.H, Tan, L.L, Chan, L.J, Tham, W.H. | Deposit date: | 2021-05-24 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain. Cell Rep, 37, 2021
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7MZG
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![BU of 7mzg by Molmil](/molmil-images/mine/7mzg) | SARS-CoV-2 receptor binding domain bound to Fab PDI 42 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, PDI 42 heavy chain, ... | Authors: | Pymm, P, Chan, L.J, Dietrich, M.H, Tan, L.L, Tham, W.H. | Deposit date: | 2021-05-24 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain. Cell Rep, 37, 2021
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