8DR9
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5O6X
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![BU of 5o6x by Molmil](/molmil-images/mine/5o6x) | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor | Descriptor: | (4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S. | Deposit date: | 2017-06-07 | Release date: | 2018-06-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors. Eur J Med Chem, 155, 2018
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7TXS
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![BU of 7txs by Molmil](/molmil-images/mine/7txs) | X-ray structure of the VioB N-aetyltransferase from Acinetobacter baumannii in the presence of a reaction intermediate | Descriptor: | SODIUM ION, VioB, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-4-({3-[(2-{[(1S)-1-{[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-{[(R)-hydroxy{[(R)-hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-2-yl]methoxy}phosphoryl]oxy}phosphoryl]oxy}-2-methyloxan-3-yl]amino}ethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name) | Authors: | Herkert, N.R, Thoden, J.B, Holden, H.M. | Deposit date: | 2022-02-09 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structure and function of an N-acetyltransferase from the human pathogen Acinetobacter baumannii isolate BAL_212. Proteins, 90, 2022
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8E5I
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8E7T
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7TXQ
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![BU of 7txq by Molmil](/molmil-images/mine/7txq) | x-ray structure of the VioB N-acetyltransferase from Acinetobacter baumannii in the present of TDP and Acetyl-CoenzymeA | Descriptor: | ACETYL COENZYME *A, SODIUM ION, THYMIDINE-5'-DIPHOSPHATE, ... | Authors: | Herkert, N.R, Thoden, J.B, Holden, H.M. | Deposit date: | 2022-02-09 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure and function of an N-acetyltransferase from the human pathogen Acinetobacter baumannii isolate BAL_212. Proteins, 90, 2022
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7TXP
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![BU of 7txp by Molmil](/molmil-images/mine/7txp) | X-ray structure of the VioB N-acetyltransferase from Acinetobacter baumannii in complex with TDP-4-amino-4,6-dideoxy-D-glucose | Descriptor: | SODIUM ION, VioB, dTDP-4-amino-4,6-dideoxyglucose | Authors: | Herkert, N.R, Thoden, J.B, Holden, H.M. | Deposit date: | 2022-02-09 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure and function of an N-acetyltransferase from the human pathogen Acinetobacter baumannii isolate BAL_212. Proteins, 90, 2022
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3BK8
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![BU of 3bk8 by Molmil](/molmil-images/mine/3bk8) | Urate oxidase aza-xanthine complex in cyanide | Descriptor: | 8-AZAXANTHINE, SODIUM ION, Uricase | Authors: | Gabison, L, Prange, T, Colloc'h, N, El Hajji, M, Castro, B, Chiadmi, M. | Deposit date: | 2007-12-06 | Release date: | 2008-08-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural analysis of urate oxidase in complex with its natural substrate inhibited by cyanide: Mechanistic implications Bmc Struct.Biol., 8, 2008
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3BNT
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7UGG
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![BU of 7ugg by Molmil](/molmil-images/mine/7ugg) | Cryo-EM structure of TRPV3 in complex with the anesthetic dyclonine | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Dyclonine, SODIUM ION, ... | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2022-03-24 | Release date: | 2022-06-08 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Structural mechanism of TRPV3 channel inhibition by the anesthetic dyclonine. Nat Commun, 13, 2022
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8DYE
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![BU of 8dye by Molmil](/molmil-images/mine/8dye) | Crystal structure of human SDHA-SDHAF4 assembly intermediate | Descriptor: | 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M. | Deposit date: | 2022-08-04 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Disordered-to-ordered transitions in assembly factors allow the complex II catalytic subunit to switch binding partners. Nat Commun, 15, 2024
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3BZL
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![BU of 3bzl by Molmil](/molmil-images/mine/3bzl) | Crystal structural of native EscU C-terminal domain | Descriptor: | EscU, FORMIC ACID, SODIUM ION | Authors: | Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J. | Deposit date: | 2008-01-18 | Release date: | 2008-04-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS. Nature, 453, 2008
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8E5C
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![BU of 8e5c by Molmil](/molmil-images/mine/8e5c) | Crystal Structure of SARS CoV-2 Mpro mutant L50F with Nirmatrelvir captured in two conformational states | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | Authors: | Shaqra, A.M, Schiffer, C.A. | Deposit date: | 2022-08-20 | Release date: | 2024-02-07 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance. Acs Infect Dis., 10, 2024
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8DT9
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![BU of 8dt9 by Molmil](/molmil-images/mine/8dt9) | Crystal Structure of SARS CoV-2 Mpro mutant L141R with Pfizer Intravenous Inhibitor PF-00835231 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ... | Authors: | Shaqra, A.M, Schiffer, C.A. | Deposit date: | 2022-07-25 | Release date: | 2024-02-07 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance. Acs Infect Dis., 10, 2024
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1Q3X
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![BU of 1q3x by Molmil](/molmil-images/mine/1q3x) | Crystal structure of the catalytic region of human MASP-2 | Descriptor: | GLYCEROL, Mannan-binding lectin serine protease 2, SODIUM ION | Authors: | Harmat, V, Gal, P, Kardos, J, Szilagyi, K, Ambrus, G, Naray-Szabo, G, Zavodszky, P. | Deposit date: | 2003-08-01 | Release date: | 2004-08-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | The structure of MBL-associated serine protease-2 reveals that identical substrate specificities of C1s and MASP-2 are realized through different sets of enzyme-substrate interactions J.Mol.Biol., 342, 2004
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7UXZ
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![BU of 7uxz by Molmil](/molmil-images/mine/7uxz) | Crystal structure of SARS-CoV-2 nucleocapsid protein C-terminal domain complexed with Chicoric acid | Descriptor: | (2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bezerra, E.H.S, Tonoli, C.C.C, Soprano, A.S, Franchini, K.G, Trivella, D.B.B, Benedetti, C.E. | Deposit date: | 2022-05-06 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.733 Å) | Cite: | Discovery and structural characterization of chicoric acid as a SARS-CoV-2 nucleocapsid protein ligand and RNA binding disruptor. Sci Rep, 12, 2022
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3C0S
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![BU of 3c0s by Molmil](/molmil-images/mine/3c0s) | UVDE 3 metals | Descriptor: | MANGANESE (II) ION, SODIUM ION, UV endonuclease | Authors: | Meulenbroek, E.M, Paspaleva, K, Thomassen, E.A.J, Abrahams, J.P, Goosen, N, Pannu, N.S. | Deposit date: | 2008-01-21 | Release date: | 2008-12-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Involvement of a carboxylated lysine in UV damage endonuclease Protein Sci., 18, 2009
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8EN9
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![BU of 8en9 by Molmil](/molmil-images/mine/8en9) | TehA native-SAD structure determined at 5 keV with a helium environment | Descriptor: | CHLORIDE ION, SODIUM ION, Tellurite resistance protein TehA homolog, ... | Authors: | Karasawa, A, Andi, B, Ruchs, M.R, Shi, W, McSweeney, S, Hendrickson, W.A, Liu, Q. | Deposit date: | 2022-09-29 | Release date: | 2022-11-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Multi-crystal native-SAD phasing at 5 keV with a helium environment. Iucrj, 9, 2022
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3C1Q
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![BU of 3c1q by Molmil](/molmil-images/mine/3c1q) | The three-dimensional structure of the cytoplasmic domains of EpsF from the Type 2 Secretion System of Vibrio cholerae | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Abendroth, J, Mitchell, D.D, Korotkov, K.V, Kreeger, A, Hol, W.G.J. | Deposit date: | 2008-01-24 | Release date: | 2009-02-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The three-dimensional structure of the cytoplasmic domains of EpsF from the type 2 secretion system of Vibrio cholerae J.Struct.Biol., 166, 2009
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3BMO
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![BU of 3bmo by Molmil](/molmil-images/mine/3bmo) | Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX4) | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine, ... | Authors: | Martini, V.P, Iulek, J, Hunter, W.N, Tulloch, L.B. | Deposit date: | 2007-12-13 | Release date: | 2008-12-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
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7UL2
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![BU of 7ul2 by Molmil](/molmil-images/mine/7ul2) | CryoEM Structure of Inactive NTSR1 Bound to SR48692 and Nb6 | Descriptor: | 2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid, Nanobody 6, Neurotensin receptor 1, ... | Authors: | Robertson, M.J, Skiniotis, G. | Deposit date: | 2022-04-03 | Release date: | 2022-06-29 | Last modified: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structure determination of inactive-state GPCRs with a universal nanobody. Nat.Struct.Mol.Biol., 29, 2022
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5LBV
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![BU of 5lbv by Molmil](/molmil-images/mine/5lbv) | Structural basis of zika and dengue virus potent antibody cross-neutralization | Descriptor: | SODIUM ION, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, envelope protein E | Authors: | Barba-Spaeth, G. | Deposit date: | 2016-06-17 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of potent Zika-dengue virus antibody cross-neutralization. Nature, 536, 2016
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3C7G
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![BU of 3c7g by Molmil](/molmil-images/mine/3c7g) | Crystal structure of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase from Bacillus subtilis in complex with xylotetraose. | Descriptor: | CALCIUM ION, Endo-1,4-beta-xylanase, GLYCEROL, ... | Authors: | Vandermarliere, E, Bourgois, T.M, Winn, M.D, Van Campenhout, S, Volckaert, G, Strelkov, S.V, Delcour, J.A, Rabijns, A, Courtin, C.M. | Deposit date: | 2008-02-07 | Release date: | 2008-11-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structural analysis of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase in complex with xylotetraose reveals a different binding mechanism compared with other members of the same family. Biochem.J., 418, 2009
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3C7X
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![BU of 3c7x by Molmil](/molmil-images/mine/3c7x) | Hemopexin-like domain of matrix metalloproteinase 14 | Descriptor: | CHLORIDE ION, Matrix metalloproteinase-14, SODIUM ION | Authors: | Tochowicz, A, Itoh, Y, Maskos, K, Bode, W, Goettig, P. | Deposit date: | 2008-02-08 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The dimer interface of the membrane type 1 matrix metalloproteinase hemopexin domain: crystal structure and biological functions J.Biol.Chem., 286, 2011
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7UFK
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![BU of 7ufk by Molmil](/molmil-images/mine/7ufk) | Crystal structure of chimeric omicron RBD (strain BA.2) complexed with human ACE2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhang, W, Shi, K, Geng, Q, Ye, G, Aihara, H, Li, F. | Deposit date: | 2022-03-22 | Release date: | 2022-10-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structural basis for mouse receptor recognition by SARS-CoV-2 omicron variant. Proc.Natl.Acad.Sci.USA, 119, 2022
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