6CXK
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![BU of 6cxk by Molmil](/molmil-images/mine/6cxk) | E. coli DHFR substrate complex with Dihydrofolate | Descriptor: | CHLORIDE ION, DIHYDROFOLIC ACID, Dihydrofolate reductase, ... | Authors: | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | Deposit date: | 2018-04-03 | Release date: | 2019-01-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.108 Å) | Cite: | The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release. Commun Biol, 1, 2018
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6GQF
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![BU of 6gqf by Molmil](/molmil-images/mine/6gqf) | The structure of mouse AsterA (GramD1a) with 25-hydroxy cholesterol | Descriptor: | 25-HYDROXYCHOLESTEROL, GLYCEROL, GRAM domain-containing protein 1A | Authors: | Fairall, L, Gurnett, J.E, Vashi, D, Sandhu, J, Tontonoz, P, Schwabe, J.W.R. | Deposit date: | 2018-06-07 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Aster Proteins Facilitate Nonvesicular Plasma Membrane to ER Cholesterol Transport in Mammalian Cells. Cell, 175, 2018
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5A4M
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![BU of 5a4m by Molmil](/molmil-images/mine/5a4m) | Mechanism of Hydrogen activation by NiFe-hydrogenases | Descriptor: | CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ... | Authors: | Evans, R.M, Brooke, E.J, Wehlin, S.A.M, Nomerotskaia, E, Sergent, F, Carr, S.B, Philips, S.E.V, Armstrong, F.A. | Deposit date: | 2015-06-10 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of Hydrogen Activation by [Nife] Hydrogenases. Nat.Chem.Biol., 12, 2016
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5HKK
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![BU of 5hkk by Molmil](/molmil-images/mine/5hkk) | Caldalaklibacillus thermarum F1-ATPase (wild type) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | Authors: | Ferguson, S.A, Cook, G.M, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. | Deposit date: | 2016-01-14 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Regulation of the thermoalkaliphilic F1-ATPase from Caldalkalibacillus thermarum. Proc.Natl.Acad.Sci.USA, 113, 2016
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4A2F
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![BU of 4a2f by Molmil](/molmil-images/mine/4a2f) | Coriolopsis gallica laccase collected at 12.65 keV | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, LACCASE | Authors: | De la Mora, E, Rudino-Pinera, E. | Deposit date: | 2011-09-26 | Release date: | 2012-04-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Changes Caused by Radiation-Induced Reduction and Radiolysis: The Effect of X-Ray Absorbed Dose in a Fungal Multicopper Oxidase Acta Crystallogr.,Sect.D, 68, 2012
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1XV9
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![BU of 1xv9 by Molmil](/molmil-images/mine/1xv9) | crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid, and 5b-pregnane-3,20-dione. | Descriptor: | (5BETA)-PREGNANE-3,20-DIONE, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ... | Authors: | Xu, R.X, Lambert, M.H, Wisely, B.B, Warren, E.N, Weinert, E.E, Waitt, G.M, Williams, J.D, Moore, L.B, Willson, T.M, Moore, J.T. | Deposit date: | 2004-10-27 | Release date: | 2004-12-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer. Mol.Cell, 16, 2004
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8AYG
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![BU of 8ayg by Molmil](/molmil-images/mine/8ayg) | |
5A7A
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![BU of 5a7a by Molmil](/molmil-images/mine/5a7a) | Novel inter-subunit contacts in Barley Stripe Mosaic Virus revealed by cryo-EM | Descriptor: | BARLEY STRIPE MOSAIC VIRUS NARROW, RNA | Authors: | Clare, D.K, Pechnikova, E, Skurat, E, Makarov, V, Sokolova, O.S, Solovyev, A.G, V Orlova, E. | Deposit date: | 2015-07-03 | Release date: | 2015-09-02 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Novel Inter-Subunit Contacts in Barley Stripe Mosaic Virus Revealed by Cryo-Electron Microscopy. Structure, 23, 2015
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5HNO
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![BU of 5hno by Molmil](/molmil-images/mine/5hno) | The structure of the kdo-capped saccharide binding subunit of the O-12 specific ABC transporter, Wzt | Descriptor: | ABC type transport system putative ATP binding protein, CHLORIDE ION | Authors: | Mallette, E, Mann, E, Whitfield, C, Kimber, M.S. | Deposit date: | 2016-01-18 | Release date: | 2016-03-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Klebsiella pneumoniae O12 ATP-binding Cassette (ABC) Transporter Recognizes the Terminal Residue of Its O-antigen Polysaccharide Substrate. J.Biol.Chem., 291, 2016
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6WQ0
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![BU of 6wq0 by Molmil](/molmil-images/mine/6wq0) | Cryo-EM of the S. solfataricus rod-shaped virus, SSRV1 | Descriptor: | DNA (301-MER), Structural protein | Authors: | Wang, F, Baquero, D.P, Beltran, L.C, Prangishvili, D, Krupovic, M, Egelman, E.H. | Deposit date: | 2020-04-28 | Release date: | 2020-07-29 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structures of filamentous viruses infecting hyperthermophilic archaea explain DNA stabilization in extreme environments. Proc.Natl.Acad.Sci.USA, 117, 2020
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8B20
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![BU of 8b20 by Molmil](/molmil-images/mine/8b20) | NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP57 | Descriptor: | 1,2-ETHANEDIOL, 2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. | Deposit date: | 2022-09-12 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria. Pharmaceuticals, 16, 2023
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6EN5
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![BU of 6en5 by Molmil](/molmil-images/mine/6en5) | Crystal structure A of the Angiotensin-1 converting enzyme N-domain in complex with a diprolyl inhibitor. | Descriptor: | (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cozier, G.E, Acharya, K.R, Fienberg, S, Chibale, K, Sturrock, E.D. | Deposit date: | 2017-10-04 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Design and Development of a Potent and Selective Novel Diprolyl Derivative That Binds to the N-Domain of Angiotensin-I Converting Enzyme. J. Med. Chem., 61, 2018
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8B1Z
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![BU of 8b1z by Molmil](/molmil-images/mine/8b1z) | NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP56 | Descriptor: | 1,2-ETHANEDIOL, 3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. | Deposit date: | 2022-09-12 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria. Pharmaceuticals, 16, 2023
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8B1W
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![BU of 8b1w by Molmil](/molmil-images/mine/8b1w) | NDM-1 metallo-beta-lactamase in complex with triazole-based inhibitor CP35 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol, ... | Authors: | Vascon, F, Lazzarato, L, Bersani, M, Gianquinto, E, Docquier, J.D, Spyrakis, F, Tondi, D, Cendron, L. | Deposit date: | 2022-09-12 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Based Optimization of 1,2,4-Triazole-3-Thione Derivatives: Improving Inhibition of NDM-/VIM-Type Metallo-beta-Lactamases and Synergistic Activity on Resistant Bacteria. Pharmaceuticals, 16, 2023
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6HKW
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![BU of 6hkw by Molmil](/molmil-images/mine/6hkw) | Crystal structure of human SDS22 | Descriptor: | Protein phosphatase 1 regulatory subunit 7, SULFATE ION | Authors: | Heroes, E, Choy, M.S, Page, R, Peti, W, Ulens, C, Van Meervelt, L, Nys, M, Bollen, M. | Deposit date: | 2018-09-09 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Structure-Guided Exploration of SDS22 Interactions with Protein Phosphatase PP1 and the Splicing Factor BCLAF1. Structure, 27, 2019
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8AKQ
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![BU of 8akq by Molmil](/molmil-images/mine/8akq) | 180 A SynPspA rod after incubation with ATP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chloroplast membrane-associated 30 kD protein | Authors: | Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C. | Deposit date: | 2022-07-31 | Release date: | 2024-02-14 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural plasticity of bacterial ESCRT-III protein PspA in higher-order assemblies. Nat.Struct.Mol.Biol., 2024
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8AKR
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![BU of 8akr by Molmil](/molmil-images/mine/8akr) | 200 A SynPspA rod after incubation with ATP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chloroplast membrane-associated 30 kD protein | Authors: | Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C. | Deposit date: | 2022-07-31 | Release date: | 2024-02-14 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural plasticity of bacterial ESCRT-III protein PspA in higher-order assemblies. Nat.Struct.Mol.Biol., 2024
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1JPV
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![BU of 1jpv by Molmil](/molmil-images/mine/1jpv) | Crystal Structure of 5'-deoxy-5'-methylthioadenosine phosphorylase complexed with SO4 | Descriptor: | 5'-deoxy-5'-methylthioadenosine phosphorylase, SULFATE ION | Authors: | Appleby, T.C, Mathews, I.I, Porcelli, M, Cacciapuoti, G, Ealick, S.E. | Deposit date: | 2001-08-03 | Release date: | 2001-10-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus. J.Biol.Chem., 276, 2001
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8AKS
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![BU of 8aks by Molmil](/molmil-images/mine/8aks) | 215 A SynPspA rod after incubation with ATP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chloroplast membrane-associated 30 kD protein | Authors: | Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C. | Deposit date: | 2022-07-31 | Release date: | 2024-02-14 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural plasticity of bacterial ESCRT-III protein PspA in higher-order assemblies. Nat.Struct.Mol.Biol., 2024
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8AKT
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![BU of 8akt by Molmil](/molmil-images/mine/8akt) | 235 A SynPspA rod after incubation with ATP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chloroplast membrane-associated 30 kD protein | Authors: | Junglas, B, Hudina, E, Schoennenbeck, P, Ritter, I, Santiago-Schuebel, B, Huesgen, P, Sachse, C. | Deposit date: | 2022-07-31 | Release date: | 2024-02-14 | Last modified: | 2024-09-04 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structural plasticity of bacterial ESCRT-III protein PspA in higher-order assemblies. Nat.Struct.Mol.Biol., 2024
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6CIR
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![BU of 6cir by Molmil](/molmil-images/mine/6cir) | Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 oxime | Descriptor: | 6-oxime-17-(3-pyridyl)-androst-16-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | Scott, E.E, Fehl, C. | Deposit date: | 2018-02-25 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.648 Å) | Cite: | Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2. J. Med. Chem., 61, 2018
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6D1Z
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![BU of 6d1z by Molmil](/molmil-images/mine/6d1z) | Crystal structure of Tyrosine-protein kinase receptor in complex with 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one Inhibitor | Descriptor: | 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one, 5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide, GLYCEROL, ... | Authors: | Greasley, S.E, Johnson, E, Kraus, M.L, Cronin, C.N. | Deposit date: | 2018-04-12 | Release date: | 2018-05-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors. J. Med. Chem., 62, 2019
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4TNJ
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![BU of 4tnj by Molmil](/molmil-images/mine/4tnj) | RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 4.5 A resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | Deposit date: | 2014-06-04 | Release date: | 2014-07-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy. Nat Commun, 5, 2014
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2HVX
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![BU of 2hvx by Molmil](/molmil-images/mine/2hvx) | Discovery of Potent, Orally Active, Nonpeptide Inhibitors of Human Mast Cell Chymase by Using Structure-Based Drug Design | Descriptor: | Chymase, [(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID | Authors: | Greco, M.N, Hawkins, M.J, Powell, E.T, Almond, H.R, de Garavilla, L, Wang, Y, Minor, L.A, Wells, G.I, Di Cera, E, Cantwell, A.M, Savvides, S.N, Damiano, B.P, Maryanoff, B.E. | Deposit date: | 2006-07-31 | Release date: | 2007-06-12 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of potent, selective, orally active, nonpeptide inhibitors of human mast cell chymase. J.Med.Chem., 50, 2007
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7MEU
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![BU of 7meu by Molmil](/molmil-images/mine/7meu) | |