8AVZ
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8AQQ
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8AQR
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4ZAE
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![BU of 4zae by Molmil](/molmil-images/mine/4zae) | Development of a novel class of potent and selective FIXa inhibitors | Descriptor: | 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, ... | Authors: | Hruza, A, Reichert, P. | Deposit date: | 2015-04-13 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Development of a novel class of potent and selective FIXa inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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5A0P
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![BU of 5a0p by Molmil](/molmil-images/mine/5a0p) | Apo-structure of metalloprotease Zmp1 from Clostridium difficile | Descriptor: | ZINC ION, ZINC METALLOPROTEASE ZMP1 | Authors: | Schacherl, M, Pichlo, C, Neundorf, I, Baumann, U. | Deposit date: | 2015-04-22 | Release date: | 2015-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.398 Å) | Cite: | Structural Basis of Proline-Proline Peptide Bond Specificity of the Metalloprotease Zmp1 Implicated in Motility of Clostridium Difficile. Structure, 23, 2015
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5A0X
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![BU of 5a0x by Molmil](/molmil-images/mine/5a0x) | Substrate peptide-bound structure of metalloprotease Zmp1 variant E143AY178F from Clostridium difficile | Descriptor: | SUBSTRATE PEPTIDE, ZINC ION, ZINC METALLOPROTEASE ZMP1 | Authors: | Schacherl, M, Pichlo, C, Neundorf, I, Baumann, U. | Deposit date: | 2015-04-23 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis of Proline-Proline Peptide Bond Specificity of the Metalloprotease Zmp1 Implicated in Motility of Clostridium Difficile. Structure, 23, 2015
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5A0R
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![BU of 5a0r by Molmil](/molmil-images/mine/5a0r) | Product peptide-bound structure of metalloprotease Zmp1 variant E143A from Clostridium difficile | Descriptor: | GLYCEROL, PRODUCT PEPTIDE, ZINC ION, ... | Authors: | Schacherl, M, Pichlo, C, Neundorf, I, Baumann, U. | Deposit date: | 2015-04-22 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.251 Å) | Cite: | Structural Basis of Proline-Proline Peptide Bond Specificity of the Metalloprotease Zmp1 Implicated in Motility of Clostridium Difficile. Structure, 23, 2015
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7MBO
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![BU of 7mbo by Molmil](/molmil-images/mine/7mbo) | FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian | Authors: | Sheriff, S. | Deposit date: | 2021-04-01 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.924 Å) | Cite: | Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy. J.Med.Chem., 65, 2022
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7NH9
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5BKM
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![BU of 5bkm by Molmil](/molmil-images/mine/5bkm) | Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine) | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2021-03-20 | Release date: | 2022-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.703 Å) | Cite: | Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine) To Be Published
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7M7C
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![BU of 7m7c by Molmil](/molmil-images/mine/7m7c) | Crystal Structure of Hip1 (Rv2224c) mutant - T466A/S228DHA (dehydroalanine) | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2021-03-27 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inhibitors and Inactivators of Mycobacterium tuberculosis serine protease Hip1 (Rv2224c) To Be Published
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5AKQ
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![BU of 5akq by Molmil](/molmil-images/mine/5akq) | X-ray structure and mutagenesis studies of the N-isopropylammelide isopropylaminohydrolase, AtzC | Descriptor: | CHLORIDE ION, N-ISOPROPYLAMMELIDE ISOPROPYL AMIDOHYDROLASE, ZINC ION | Authors: | Balotra, S, Warden, A.C, Newman, J, Briggs, L.J, Scott, C, Peat, T.S. | Deposit date: | 2015-03-05 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc Plos One, 1, 2015
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5A0S
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![BU of 5a0s by Molmil](/molmil-images/mine/5a0s) | Apo-structure of metalloprotease Zmp1 variant E143A from Clostridium difficile | Descriptor: | ZINC ION, ZINC METALLOPROTEASE ZMP1 | Authors: | Schacherl, M, Pichlo, C, Neundorf, I, Baumann, U. | Deposit date: | 2015-04-22 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structural Basis of Proline-Proline Peptide Bond Specificity of the Metalloprotease Zmp1 Implicated in Motility of Clostridium Difficile. Structure, 23, 2015
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5D2J
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5D2F
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![BU of 5d2f by Molmil](/molmil-images/mine/5d2f) | 4-oxalocrotonate decarboxylase from Pseudomonas putida G7 - apo form | Descriptor: | 1,2-ETHANEDIOL, 4-oxalocrotonate decarboxylase NahK, ACETATE ION, ... | Authors: | Guimaraes, S.L, Nagem, R.A.P. | Deposit date: | 2015-08-05 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.738 Å) | Cite: | Crystal Structures of Apo and Liganded 4-Oxalocrotonate Decarboxylase Uncover a Structural Basis for the Metal-Assisted Decarboxylation of a Vinylogous beta-Keto Acid. Biochemistry, 55, 2016
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4A7I
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![BU of 4a7i by Molmil](/molmil-images/mine/4a7i) | Factor Xa in complex with a potent 2-amino-ethane sulfonamide inhibitor | Descriptor: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN XA, CALCIUM ION, ... | Authors: | Nazare, M, Matter, H, Will, D.W, Wagner, M, Urmann, M, Czech, J, Schreuder, H, Bauer, A, Ritter, K, Wehner, V. | Deposit date: | 2011-11-14 | Release date: | 2012-02-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Fragment Deconstruction of Small, Potent Factor Xa Inhibitors: Exploring the Superadditivity Energetics of Fragment Linking in Protein-Ligand Complexes. Angew.Chem.Int.Ed.Engl., 51, 2012
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5E3J
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![BU of 5e3j by Molmil](/molmil-images/mine/5e3j) | The response regulator RstA is a potential drug target for Acinetobacter baumannii | Descriptor: | Response regulator RstA | Authors: | Russo, T.A, Manohar, A, Beanan, J.M, Olson, R, MacDonald, U, Graham, J, Umland, T.C. | Deposit date: | 2015-10-02 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Response Regulator BfmR Is a Potential Drug Target for Acinetobacter baumannii. Msphere, 1, 2016
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5LAA
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8DE6
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![BU of 8de6 by Molmil](/molmil-images/mine/8de6) | Oligomeric C9 in complex with aE11 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement component C9, ... | Authors: | Bayly-Jones, C. | Deposit date: | 2022-06-20 | Release date: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The neoepitope of the complement C5b-9 Membrane Attack Complex is formed by proximity of adjacent ancillary regions of C9. Commun Biol, 6, 2023
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5EUP
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5FS8
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5FPE
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![BU of 5fpe by Molmil](/molmil-images/mine/5fpe) | Structure of heat shock-related 70kDA protein 2 with small-molecule ligand 1H-1,2,4-triazol-3-amine (AT485) in an alternate binding site. | Descriptor: | 3-AMINO-1,2,4-TRIAZOLE, HEAT SHOCK-RELATED 70KDA PROTEIN 2 | Authors: | Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M. | Deposit date: | 2015-11-28 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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5MHN
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5MHL
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5MHM
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