8JI6
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![BU of 8ji6 by Molmil](/molmil-images/mine/8ji6) | Crystal structure of AetD in complex with L-tryptophan | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AetD, FE (II) ION, ... | Authors: | Li, H, Dai, L, Zheng, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-05-26 | Release date: | 2023-11-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structural and functional investigation into an unusual nitrile synthase. Nat Commun, 14, 2023
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3SOJ
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![BU of 3soj by Molmil](/molmil-images/mine/3soj) | Francisella tularensis pilin PilE | Descriptor: | PilE, SULFATE ION | Authors: | Wood, T, Arvai, A.S, Shin, D.S, Hartung, S, Kolappan, S, Craig, L, Tainer, J.A. | Deposit date: | 2011-06-30 | Release date: | 2011-11-02 | Last modified: | 2014-05-14 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Ultrahigh Resolution and Full-length Pilin Structures with Insights for Filament Assembly, Pathogenic Functions, and Vaccine Potential. J.Biol.Chem., 286, 2011
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1C9O
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![BU of 1c9o by Molmil](/molmil-images/mine/1c9o) | CRYSTAL STRUCTURE ANALYSIS OF THE BACILLUS CALDOLYTICUS COLD SHOCK PROTEIN BC-CSP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COLD-SHOCK PROTEIN, SODIUM ION | Authors: | Mueller, U, Perl, D, Schmid, F.X, Heinemann, U. | Deposit date: | 1999-08-03 | Release date: | 2000-04-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Thermal stability and atomic-resolution crystal structure of the Bacillus caldolyticus cold shock protein. J.Mol.Biol., 297, 2000
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5TDZ
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![BU of 5tdz by Molmil](/molmil-images/mine/5tdz) | |
4CNL
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![BU of 4cnl by Molmil](/molmil-images/mine/4cnl) | Crystal structure of the Choline-binding domain of CbpL from Streptococcus pneumoniae | Descriptor: | CHOLINE ION, GLYCEROL, PUTATIVE PNEUMOCOCCAL SURFACE PROTEIN, ... | Authors: | Gutierrez-Fernandez, J, Bartual, S.G, Hermoso, J.A. | Deposit date: | 2014-01-23 | Release date: | 2015-02-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Modular Architecture and Unique Teichoic Acid Recognition Features of Choline-Binding Protein L (Cbpl) Contributing to Pneumococcal Pathogenesis. Sci.Rep., 6, 2016
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8JWK
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![BU of 8jwk by Molmil](/molmil-images/mine/8jwk) | The second purified state crystal structure of AKRtyl | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aldo/keto reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Lin, S, Dai, S, Xiao, Z. | Deposit date: | 2023-06-29 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D. Nat Commun, 15, 2024
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1BTH
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7C3N
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![BU of 7c3n by Molmil](/molmil-images/mine/7c3n) | Crystal structure of JAK3 in complex with Delgocitinib | Descriptor: | 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile, Tyrosine-protein kinase JAK3 | Authors: | Doi, S, Otira, T, Kikuwaka, M, Nomura, A, Noji, S, Adachi, T. | Deposit date: | 2020-05-13 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders. J.Med.Chem., 63, 2020
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6FJK
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![BU of 6fjk by Molmil](/molmil-images/mine/6fjk) | Inositol 1,3,4,5,6-pentakisphosphate 2-kinase from A. thaliana in complex with myo-IP6 and ADP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Whitfield, H.L, Brearley, C.A, Hemmings, A.M. | Deposit date: | 2018-01-22 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.025 Å) | Cite: | A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2-Kinase. J. Med. Chem., 61, 2018
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1AD1
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![BU of 1ad1 by Molmil](/molmil-images/mine/1ad1) | DIHYDROPTEROATE SYNTHETASE (APO FORM) FROM STAPHYLOCOCCUS AUREUS | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIHYDROPTEROATE SYNTHETASE, POTASSIUM ION | Authors: | Kostrewa, D, Oefner, C, D'Arcy, A. | Deposit date: | 1997-02-19 | Release date: | 1998-04-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and function of the dihydropteroate synthase from Staphylococcus aureus. J.Mol.Biol., 268, 1997
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8OUC
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![BU of 8ouc by Molmil](/molmil-images/mine/8ouc) | Escherichia coli DPS | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA protection during starvation protein | Authors: | Kovalenko, V.V, Loiko, N.G, Tereshkina, K.B, Tereshkin, E.V, Chulichkov, A.L, Popov, A.N, Krupyanskii, Y.F. | Deposit date: | 2023-04-22 | Release date: | 2023-05-03 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Escherichia coli DPS To be published
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5T8K
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![BU of 5t8k by Molmil](/molmil-images/mine/5t8k) | 1.95 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Adenine and NAD | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENINE, Adenosylhomocysteinase, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Bishop, B, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-09-07 | Release date: | 2016-09-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 1.95 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with Adenine and NAD. To Be Published
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1CPF
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![BU of 1cpf by Molmil](/molmil-images/mine/1cpf) | A CATION BINDING MOTIF STABILIZES THE COMPOUND I RADICAL OF CYTOCHROME C PEROXIDASE | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Miller, M.A, Han, G.W, Kraut, J. | Deposit date: | 1994-08-18 | Release date: | 1994-11-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A cation binding motif stabilizes the compound I radical of cytochrome c peroxidase. Proc.Natl.Acad.Sci.USA, 91, 1994
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5TR3
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![BU of 5tr3 by Molmil](/molmil-images/mine/5tr3) | 2.5 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Pseudomonas putida in Complex with FAD. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-10-25 | Release date: | 2016-11-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 2.5 Angstrom Resolution Crystal Structure of Dihydrolipoyl Dehydrogenase from Pseudomonas putida in Complex with FAD. To Be Published
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1QMU
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![BU of 1qmu by Molmil](/molmil-images/mine/1qmu) | Duck carboxypeptidase D domain II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBOXYPEPTIDASE GP180 RESIDUES 503-882, SULFATE ION, ... | Authors: | Gomis-Rueth, F.X, Coll, M, Aviles, F.X, Vendrell, J, Fricker, L.D. | Deposit date: | 1999-10-06 | Release date: | 2000-10-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of Avian Carboxypeptidase D Domain II : A Prototype for the Regulatory Metallocarboxypeptidase Subfamily Embo J., 18, 1999
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1DZ4
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![BU of 1dz4 by Molmil](/molmil-images/mine/1dz4) | ferric p450cam from pseudomonas putida | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ... | Authors: | Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G. | Deposit date: | 2000-02-16 | Release date: | 2000-07-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution Science, 287, 2000
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1D0I
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![BU of 1d0i by Molmil](/molmil-images/mine/1d0i) | CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM STREPTOMYCES COELICOLOR COMPLEXED WITH PHOSPHATE IONS | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, TYPE II 3-DEHYDROQUINATE HYDRATASE | Authors: | Roszak, A.W, Krell, T, Hunter, I.S, Coggins, J.R, Lapthorn, A.J. | Deposit date: | 1999-09-10 | Release date: | 2000-09-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structure and mechanism of the type II dehydroquinase from Streptomyces coelicolor. Structure, 10, 2002
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1DZ8
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![BU of 1dz8 by Molmil](/molmil-images/mine/1dz8) | oxygen complex of p450cam from pseudomonas putida | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ... | Authors: | Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G. | Deposit date: | 2000-02-18 | Release date: | 2000-03-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution Science, 287, 2000
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1DZ6
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![BU of 1dz6 by Molmil](/molmil-images/mine/1dz6) | ferrous p450cam from pseudomonas putida | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ... | Authors: | Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G. | Deposit date: | 2000-02-18 | Release date: | 2000-03-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution Science, 287, 2000
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1DZ9
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![BU of 1dz9 by Molmil](/molmil-images/mine/1dz9) | Putative oxo complex of P450cam from Pseudomonas putida | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CYTOCHROME P450-CAM, ... | Authors: | Schlichting, I, Berendzen, J, Chu, K, Stock, A.M, Maves, S.A, Benson, D.E, Sweet, R.M, Ringe, D, Petsko, G.A, Sligar, S.G. | Deposit date: | 2000-02-18 | Release date: | 2000-03-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Catalytic Pathway of Cytochrome P450Cam at Atomic Resolution Science, 287, 2000
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8Y5V
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![BU of 8y5v by Molmil](/molmil-images/mine/8y5v) | GII.4 Sydney PD and 2'-FL | Descriptor: | 1,2-ETHANEDIOL, GII.4 Sydney PD in complex with 2'-FL (powder), alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Hansman, G, Tame, J.R.H, Kher, G, Pancera, M. | Deposit date: | 2024-02-01 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | GII.4 Sydney PD and 2'-FL To Be Published
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8VB1
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![BU of 8vb1 by Molmil](/molmil-images/mine/8vb1) | Crystal structure of HIV-1 protease with GS-9770 | Descriptor: | (2S)-2-{(3M)-4-chloro-3-[1-(difluoromethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-[(2E,4R)-4-[4-(2-cyclopropyl-2H-1,2,3-triazol-4-yl)phenyl]-2-imino-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazolidin-1-yl]ethyl [1-(difluoromethyl)cyclopropyl]carbamate, HIV-1 protease | Authors: | Lansdon, E.B. | Deposit date: | 2023-12-11 | Release date: | 2024-03-06 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Preclinical characterization of a non-peptidomimetic HIV protease inhibitor with improved metabolic stability. Antimicrob.Agents Chemother., 68, 2024
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8VSH
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![BU of 8vsh by Molmil](/molmil-images/mine/8vsh) | Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S variant with trans heme D | Descriptor: | Group 1 truncated hemoglobin, {3-[(2R,5'R)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato}iron | Authors: | Lecomte, J.T.J, Martinez, J.E, Schlessman, J.L, Schultz, T.D, Siegler, M.A. | Deposit date: | 2024-01-24 | Release date: | 2024-04-03 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Heme d formation in a Shewanella benthica hemoglobin. J.Inorg.Biochem., 259, 2024
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8W3A
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![BU of 8w3a by Molmil](/molmil-images/mine/8w3a) | Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S variant with trans heme D | Descriptor: | Group 1 truncated hemoglobin, PROTOPORPHYRIN IX CONTAINING FE, {3-[(2R,5'R)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato}iron | Authors: | Lecomte, J.T.J, Schlessman, J.L, Schultz, T.D, Siegler, M.A. | Deposit date: | 2024-02-22 | Release date: | 2024-04-03 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Heme d formation in a Shewanella benthica hemoglobin. J.Inorg.Biochem., 259, 2024
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8V9A
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![BU of 8v9a by Molmil](/molmil-images/mine/8v9a) | GII.NA1 Loreto 1257 norovirus protruding domain | Descriptor: | 1,2-ETHANEDIOL, Capsid protein VP1 | Authors: | Kher, G, Kim, I, Pancera, M, Hansman, G. | Deposit date: | 2023-12-07 | Release date: | 2024-06-19 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses. J.Virol., 2024
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