6ZUG
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![BU of 6zug by Molmil](/molmil-images/mine/6zug) | Crystal Structure of Thrombin in complex with compound10 | Descriptor: | 2-[(3-chlorophenyl)methylamino]-7-methoxy-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-~{N}-propyl-1,3-benzoxazole-5-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, ... | Authors: | Schafer, M. | Deposit date: | 2020-07-22 | Release date: | 2020-08-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J.Med.Chem., 63, 2020
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6ZUU
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![BU of 6zuu by Molmil](/molmil-images/mine/6zuu) | Crystal structure of Thrombin in complex with compound30 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... | Authors: | Schafer, M. | Deposit date: | 2020-07-23 | Release date: | 2020-10-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J.Med.Chem., 63, 2020
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6ZV7
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![BU of 6zv7 by Molmil](/molmil-images/mine/6zv7) | Crystal Structure of Thrombin in complex with compound42b | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... | Authors: | Schafer, M. | Deposit date: | 2020-07-24 | Release date: | 2020-08-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J.Med.Chem., 63, 2020
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6ZXH
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![BU of 6zxh by Molmil](/molmil-images/mine/6zxh) | Cryo-EM structure of a late human pre-40S ribosomal subunit - State H2 | Descriptor: | 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S12, ... | Authors: | Ameismeier, M, Zemp, I, van den Heuvel, J, Thoms, M, Berninghausen, O, Kutay, U, Beckmann, R. | Deposit date: | 2020-07-29 | Release date: | 2020-12-16 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis for the final steps of human 40S ribosome maturation. Nature, 587, 2020
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7VJ7
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![BU of 7vj7 by Molmil](/molmil-images/mine/7vj7) | SFX structure of archaeal class II CPD photolyase from Methanosarcina mazei in the fully reduced state | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | Deposit date: | 2021-09-28 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme. Nat.Chem., 14, 2022
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6A7P
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![BU of 6a7p by Molmil](/molmil-images/mine/6a7p) | Human serum albumin complexed with aripiprazole | Descriptor: | 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Kawai, A, Yamasaki, K, Otagiri, M. | Deposit date: | 2018-07-03 | Release date: | 2018-10-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Analysis of the Binding of Aripiprazole to Human Serum Albumin: The Importance of a Chloro-Group in the Chemical Structure. Acs Omega, 3, 2018
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6A97
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![BU of 6a97 by Molmil](/molmil-images/mine/6a97) | Crystal structure of MHC-like MILL2 | Descriptor: | Beta-2-microglobulin, MHC I-like leukocyte 2 long form, SULFATE ION | Authors: | Kajikawa, M, Ose, T, Maenaka, K. | Deposit date: | 2018-07-11 | Release date: | 2018-12-05 | Method: | X-RAY DIFFRACTION (2.148 Å) | Cite: | Structure of MHC class I-like MILL2 reveals heparan-sulfate binding and interdomain flexibility. Nat Commun, 9, 2018
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4Q33
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![BU of 4q33 by Molmil](/molmil-images/mine/4q33) | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and A110 | Descriptor: | 4-[(1R)-1-[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]ethoxy]-1-oxidanyl-quinoline, ACETIC ACID, FORMIC ACID, ... | Authors: | Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Gu, M, Zhang, M, Mandapati, K, Gollapalli, D.R, Gorla, S.K, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-04-10 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.885 Å) | Cite: | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and A110 TO BE PUBLISHED
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6ZWP
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![BU of 6zwp by Molmil](/molmil-images/mine/6zwp) | p38a bound with SR348 | Descriptor: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Schroeder, M, Roehm, S, Knapp, S, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Structural Genomics Consortium (SGC) | Deposit date: | 2020-07-28 | Release date: | 2020-08-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK. Eur.J.Med.Chem., 208, 2020
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6ZXG
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![BU of 6zxg by Molmil](/molmil-images/mine/6zxg) | Cryo-EM structure of a late human pre-40S ribosomal subunit - State H1 | Descriptor: | 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S12, ... | Authors: | Ameismeier, M, Zemp, I, van den Heuvel, J, Thoms, M, Berninghausen, O, Kutay, U, Beckmann, R. | Deposit date: | 2020-07-29 | Release date: | 2020-12-02 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural basis for the final steps of human 40S ribosome maturation. Nature, 587, 2020
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6A48
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![BU of 6a48 by Molmil](/molmil-images/mine/6a48) | Crystal structure of reelin N-terminal region | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Reelin | Authors: | Nagae, M, Takagi, J. | Deposit date: | 2018-06-19 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural studies of reelin N-terminal region provides insights into a unique structural arrangement and functional multimerization. J.Biochem., 169, 2021
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6AD9
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![BU of 6ad9 by Molmil](/molmil-images/mine/6ad9) | Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-9 | Descriptor: | 12-mer peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one, Peroxisome proliferator-activated receptor gamma | Authors: | Takahashi, Y, Suzuki, M, Yamamoto, K, Saito, J. | Deposit date: | 2018-07-31 | Release date: | 2018-11-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Development of Dihydrodibenzooxepine Peroxisome Proliferator-Activated Receptor (PPAR) Gamma Ligands of a Novel Binding Mode as Anticancer Agents: Effective Mimicry of Chiral Structures by Olefinic E/ Z-Isomers. J. Med. Chem., 61, 2018
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8T87
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![BU of 8t87 by Molmil](/molmil-images/mine/8t87) | |
6WR4
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![BU of 6wr4 by Molmil](/molmil-images/mine/6wr4) | Structure of human ATG9A, the only transmembrane protein of the core autophagy machinery | Descriptor: | Autophagy-related protein 9A, Lauryl Maltose Neopentyl Glycol | Authors: | Guardia, C.M, Tan, X, Lian, T, Rana, M.S, Zhou, W, Christenson, E.T, Lowry, A.J, Faraldo-Gomez, J.D, Bonifacino, J.S, Jiang, J, Banerjee, A. | Deposit date: | 2020-04-29 | Release date: | 2020-07-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure of Human ATG9A, the Only Transmembrane Protein of the Core Autophagy Machinery. Cell Rep, 31, 2020
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6ZUN
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![BU of 6zun by Molmil](/molmil-images/mine/6zun) | Crystal Structure of Thrombin in complex with compound20a | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... | Authors: | Schafer, M. | Deposit date: | 2020-07-23 | Release date: | 2020-08-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.793 Å) | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J.Med.Chem., 63, 2020
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6ZV8
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![BU of 6zv8 by Molmil](/molmil-images/mine/6zv8) | Crystal Structure of Thrombin in complex with compound51 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... | Authors: | Schafer, M. | Deposit date: | 2020-07-24 | Release date: | 2020-08-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J.Med.Chem., 63, 2020
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6ZUX
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![BU of 6zux by Molmil](/molmil-images/mine/6zux) | Crystal Structure of Thrombin in complex with compound42a | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... | Authors: | Schafer, M. | Deposit date: | 2020-07-23 | Release date: | 2020-08-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J.Med.Chem., 63, 2020
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5HNP
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![BU of 5hnp by Molmil](/molmil-images/mine/5hnp) | The structure of the kdo-capped saccharide binding subunit of the O-12 specific ABC transporter, Wzt | Descriptor: | ABC transporter, CHLORIDE ION | Authors: | Mallette, E, Mann, E, Whitfield, C, Kimber, M.S. | Deposit date: | 2016-01-18 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 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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3DXN
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![BU of 3dxn by Molmil](/molmil-images/mine/3dxn) | Crystal structure of the calcium-dependent kinase from toxoplasma gondii, 541.m00134, kinase domain. | Descriptor: | Calmodulin-like domain protein kinase isoform 3 | Authors: | Wernimont, A.K, Lew, J, Kozieradzki, I, Cossar, D, Wasney, G, Lin, Y.H, Hassani, A, Ali, A, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Wikstrom, M, Edwards, A.M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2008-07-24 | Release date: | 2008-09-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Crystal structure of the calcium-dependent kinase from toxoplasma gondii, 541.m00134, kinase domain. To be Published
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6D7J
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![BU of 6d7j by Molmil](/molmil-images/mine/6d7j) | |
8F3H
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![BU of 8f3h by Molmil](/molmil-images/mine/8f3h) | Crystal structure of Penicillin Binding Protein 5 (PBP5) S466 insertion variant apo form from Enterococcus faecium | Descriptor: | Penicillin binding protein 5, SULFATE ION | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | Deposit date: | 2022-11-10 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics Nat Commun, 2023
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8F3L
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![BU of 8f3l by Molmil](/molmil-images/mine/8f3l) | Crystal structure of Penicillin Binding Protein 5 (PBP5) T485A variant penicillin bound form from Enterococcus faecium | Descriptor: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | Deposit date: | 2022-11-10 | Release date: | 2023-07-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics Nat Commun, 2023
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6WQZ
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![BU of 6wqz by Molmil](/molmil-images/mine/6wqz) | Structure of human ATG9A, the only transmembrane protein of the core autophagy machinery | Descriptor: | Autophagy-related protein 9A, Lauryl Maltose Neopentyl Glycol | Authors: | Guardia, C.M, Tan, X, Lian, T, Rana, M.S, Zhou, W, Christenson, E.T, Lowry, A.J, Faraldo-Gomez, J.D, Bonifacino, J.S, Jiang, J, Banerjee, A. | Deposit date: | 2020-04-29 | Release date: | 2020-07-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structure of Human ATG9A, the Only Transmembrane Protein of the Core Autophagy Machinery. Cell Rep, 31, 2020
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8F3O
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![BU of 8f3o by Molmil](/molmil-images/mine/8f3o) | Crystal structure of Penicillin Binding Protein 5 (PBP5) R464A variant apo form from Enterococcus faecium | Descriptor: | Penicillin binding protein 5, SULFATE ION | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Peti, W, Page, R. | Deposit date: | 2022-11-10 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics Nat Commun, 2023
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8F3S
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![BU of 8f3s by Molmil](/molmil-images/mine/8f3s) | Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M T499I variant penicillin bound form from Enterococcus faecium | Descriptor: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | Deposit date: | 2022-11-10 | Release date: | 2023-07-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics Nat Commun, 2023
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