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1IVD
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BU of 1ivd by Molmil
STRUCTURES OF AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID, CALCIUM ION, ...
Authors:Jedrzejas, M.J, Luo, M.
Deposit date:1994-12-12
Release date:1995-03-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of aromatic inhibitors of influenza virus neuraminidase.
Biochemistry, 34, 1995
1IVC
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BU of 1ivc by Molmil
STRUCTURES OF AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID, CALCIUM ION, ...
Authors:Jedrzejas, M.J, Luo, M.
Deposit date:1994-12-12
Release date:1995-03-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of aromatic inhibitors of influenza virus neuraminidase.
Biochemistry, 34, 1995
1KXI
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BU of 1kxi by Molmil
STRUCTURE OF CYTOTOXIN HOMOLOG PRECURSOR
Descriptor: CARDIOTOXIN V
Authors:Sun, Y.-J, Wu, W.-G, Chiang, C.-M, Hsin, A.-Y, Hsiao, C.-D.
Deposit date:1996-08-29
Release date:1997-04-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal structure of cardiotoxin V from Taiwan cobra venom: pH-dependent conformational change and a novel membrane-binding motif identified in the three-finger loops of P-type cardiotoxin.
Biochemistry, 36, 1997
1IVE
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BU of 1ive by Molmil
STRUCTURES OF AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID, ...
Authors:Jedrzejas, M.J, Luo, M.
Deposit date:1994-12-12
Release date:1995-03-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of aromatic inhibitors of influenza virus neuraminidase.
Biochemistry, 34, 1995
6D7J
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BU of 6d7j by Molmil
The Crystal Structure of Parabacteroides merdae Beta-Glucuronidase (GUS) with Glycerol in Active-Site
Descriptor: Beta-Glucuronidase, GLYCEROL, POTASSIUM ION, ...
Authors:Little, M.S, Redinbo, M.R.
Deposit date:2018-04-24
Release date:2019-05-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Active site flexibility revealed in crystal structures of Parabacteroides merdae beta-glucuronidase from the human gut microbiome.
Protein Sci., 27, 2018
6DTW
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BU of 6dtw by Molmil
HIV-1 Reverse Transcriptase Y181C Mutant in complex with JLJ 578
Descriptor: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
Authors:Sasaki, T, Gannam, Z.T.K, Anderson, K.S, Jorgensen, W.L, Lee, W.
Deposit date:2018-06-18
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.742 Å)
Cite:Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 29, 2019
1TSI
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BU of 1tsi by Molmil
STRUCTURE OF THE COMPLEX BETWEEN TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE AND N-HYDROXY-4-PHOSPHONO-BUTANAMIDE: BINDING AT THE ACTIVE SITE DESPITE AN "OPEN" FLEXIBLE LOOP
Descriptor: N-HYDROXY-4-PHOSPHONO-BUTANAMIDE, TRIOSEPHOSPHATE ISOMERASE
Authors:Verlinde, C.L.M.J.
Deposit date:1992-11-19
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Structure of the complex between trypanosomal triosephosphate isomerase and N-hydroxy-4-phosphono-butanamide: binding at the active site despite an "open" flexible loop conformation.
Protein Sci., 1, 1992
6P7Z
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BU of 6p7z by Molmil
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
Descriptor: 5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide, Histone-lysine N-methyltransferase SMYD3, MAGNESIUM ION, ...
Authors:Elkins, P.A, Bonnette, W.G.
Deposit date:2019-06-06
Release date:2020-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
4QL7
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BU of 4ql7 by Molmil
Crystal structure of C-terminus truncated Alkylhydroperoxide Reductase subunit C (AhpC1-172) from E. coli
Descriptor: Alkylhydroperoxide Reductase subunit C
Authors:Kamariah, N, Gruber, G, Eisenhaber, F, Eisenhaber, B.
Deposit date:2014-06-11
Release date:2014-09-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:Key roles of the Escherichia coli AhpC C-terminus in assembly and catalysis of alkylhydroperoxide reductase, an enzyme essential for the alleviation of oxidative stress.
Biochim.Biophys.Acta, 1837, 2014
4QL9
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BU of 4ql9 by Molmil
Crystal structure of C-terminus truncated Alkylhydroperoxide Reductase subunit C (AhpC1-182) from E. coli
Descriptor: Alkylhydroperoxide Reductase subunit C
Authors:Nartey, W, Kamariah, N, Gruber, G.
Deposit date:2014-06-11
Release date:2014-09-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Key roles of the Escherichia coli AhpC C-terminus in assembly and catalysis of alkylhydroperoxide reductase, an enzyme essential for the alleviation of oxidative stress.
Biochim.Biophys.Acta, 1837, 2014
7R7N
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BU of 7r7n by Molmil
SARS-CoV-2 spike in complex with the S2D106 neutralizing antibody Fab fragment (local refinement of the RBD and S2D106)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S2D106 FAB heavy chain, S2D106 FAB light chain, ...
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-06-25
Release date:2021-07-21
Last modified:2021-09-15
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
7R6X
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BU of 7r6x by Molmil
SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2E12 Fab, S309 Fab, and S304 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Monoclonal antibody S2E12 Fab heavy chain, ...
Authors:Snell, G, Czudnochowski, N, Croll, T.I, Nix, J.C, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
Deposit date:2021-06-23
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
7R6W
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BU of 7r6w by Molmil
SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2X35 Fab and S309 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Snell, G, Czudnochowski, N, Hernandez, P, Nix, J.C, Croll, T.I, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
Deposit date:2021-06-23
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
6MVH
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BU of 6mvh by Molmil
Crystal structure of FMN-binding beta-glucuronidase from Roseburia hominis
Descriptor: Beta-galactosidase, CALCIUM ION, FLAVIN MONONUCLEOTIDE
Authors:Pellock, S.J, Redinbo, M.R.
Deposit date:2018-10-25
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and Characterization of FMN-Binding beta-Glucuronidases in the Human Gut Microbiome.
J. Mol. Biol., 431, 2019
1PHH
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BU of 1phh by Molmil
CRYSTAL STRUCTURE OF P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH ITS REACTION PRODUCT 3,4-DIHYDROXYBENZOATE
Descriptor: 3,4-DIHYDROXYBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOATE HYDROXYLASE
Authors:Schreuder, H.A, Drenth, J.
Deposit date:1987-11-04
Release date:1988-04-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of p-hydroxybenzoate hydroxylase complexed with its reaction product 3,4-dihydroxybenzoate.
J.Mol.Biol., 199, 1988
6MVG
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BU of 6mvg by Molmil
Crystal structure of FMN-binding beta-glucuronidase from Ruminococcus gnavus
Descriptor: CALCIUM ION, FLAVIN MONONUCLEOTIDE, beta-glucuronidase
Authors:Pellock, S.J, Redinbo, M.R.
Deposit date:2018-10-25
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Characterization of FMN-Binding beta-Glucuronidases in the Human Gut Microbiome.
J. Mol. Biol., 431, 2019
6NZG
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BU of 6nzg by Molmil
Bacteroides uniformis beta-glucuronidase 2 covalently bound to cyclophellitol-6-carboxylate aziridine
Descriptor: (1S,2R,3S,4S,5S,6R)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid, Beta-galactosidase, CALCIUM ION, ...
Authors:Pellock, S.J, Jariwala, P.B, Redinbo, M.R.
Deposit date:2019-02-13
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovering the Microbial Enzymes Driving Drug Toxicity with Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
4GSF
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BU of 4gsf by Molmil
The structure analysis of cysteine free insulin degrading enzyme (ide) with (s)-2-{2-[carboxymethyl-(3-phenyl-propionyl)-amino]-acetylamino}-3-(3h-imidazol-4-yl)-propionic acid methyl ester
Descriptor: Insulin-degrading enzyme, ZINC ION, methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate
Authors:Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J.
Deposit date:2012-08-27
Release date:2013-08-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-activity relationships of imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, dual binders of human insulin-degrading enzyme.
Eur.J.Med.Chem., 90, 2015
7R6P
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BU of 7r6p by Molmil
Solution structure of peptide toxin MIITX2-Mg1a from the venom of the Australian giant red bull ant Myrmecia gulosa
Descriptor: U-myrmeciitoxin(02)-Mg1a
Authors:Chin, Y.K, Eagle, D, Bankala, K, Robinson, S.D.
Deposit date:2021-06-23
Release date:2022-02-09
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A peptide toxin in ant venom mimics vertebrate EGF-like hormones to cause long-lasting hypersensitivity in mammals.
Proc.Natl.Acad.Sci.USA, 119, 2022
6MVF
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BU of 6mvf by Molmil
Crystal structure of FMN-binding beta-glucuronidase from Facaelibacterium prausnitzii L2-6
Descriptor: Beta-galactosidase/beta-glucuronidase, FLAVIN MONONUCLEOTIDE
Authors:Pellock, S.J, Redinbo, M.R.
Deposit date:2018-10-25
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery and Characterization of FMN-Binding beta-Glucuronidases in the Human Gut Microbiome.
J. Mol. Biol., 431, 2019
8PN9
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BU of 8pn9 by Molmil
Structure of human oligosaccharyltransferase OST-A complex bound to NGI-1
Descriptor: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{R},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethyl-3,15-bis(oxidanyl)spiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-16-yl]oxy-oxane-3,4,5-triol, (4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium, ...
Authors:Ramirez, A.S, Kowal, J, Locher, K.P.
Deposit date:2023-06-30
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Positive selection CRISPR screens reveal a druggable pocket in an oligosaccharyltransferase required for inflammatory signaling to NF-kappa B.
Cell, 187, 2024
4H8S
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BU of 4h8s by Molmil
Crystal structure of human APPL2BARPH domain
Descriptor: DCC-interacting protein 13-beta
Authors:Martin, J.L, King, G.J.
Deposit date:2012-09-23
Release date:2012-10-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Membrane Curvature Protein Exhibits Interdomain Flexibility and Binds a Small GTPase.
J.Biol.Chem., 287, 2012
5OSQ
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BU of 5osq by Molmil
ZP-N domain of mammalian sperm receptor ZP3 (crystal form II, processed in P21221)
Descriptor: CALCIUM ION, Maltose-binding periplasmic protein,Zona pellucida sperm-binding protein 3, TRIETHYLENE GLYCOL, ...
Authors:Jovine, L, Monne, M.
Deposit date:2017-08-18
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the ZP-N domain of ZP3 reveals the core fold of animal egg coats
Nature, 456, 2008
3TN2
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BU of 3tn2 by Molmil
structure analysis of MIP1-beta P8A
Descriptor: C-C motif chemokine 4, ZINC ION
Authors:Guo, Q, Tang, W.J.
Deposit date:2011-09-01
Release date:2012-09-05
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of human CCL18, CCL3, and CCL4 reveal molecular determinants for quaternary structures and sensitivity to insulin-degrading enzyme.
J.Mol.Biol., 427, 2015
3BCE
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BU of 3bce by Molmil
Crystal structure of the ErbB4 kinase
Descriptor: DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, Receptor tyrosine-protein kinase erbB-4, ...
Authors:Qiu, C.
Deposit date:2007-11-12
Release date:2008-02-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanism of Activation and Inhibition of the HER4/ErbB4 Kinase.
Structure, 16, 2008

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