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8PTI
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BU of 8pti by Molmil
CRYSTAL STRUCTURE OF A Y35G MUTANT OF BOVINE PANCREATIC TRYPSIN INHIBITOR
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR
Authors:Housset, D, Kim, K.-S, Fuchs, J, Woodward, C, Wlodawer, A.
Deposit date:1990-12-17
Release date:1991-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a Y35G mutant of bovine pancreatic trypsin inhibitor.
J.Mol.Biol., 220, 1991
4BP9
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BU of 4bp9 by Molmil
Oligopeptidase B from Trypanosoma brucei with covalently bound antipain - closed form
Descriptor: ANTIPAIN, OLIGOPEPTIDASSE B
Authors:Canning, P, Rea, D, Morty, R, Fulop, V.
Deposit date:2013-05-23
Release date:2014-02-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structures of Trypanosoma Brucei Oligopeptidase B Broaden the Paradigm of Catalytic Regulation in Prolyl Oligopeptidase Family Enzymes.
Plos One, 8, 2013
7RFQ
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BU of 7rfq by Molmil
STRUCTURE OF BACTERIAL SYLF DOMAIN CONTAINING PROTEIN, BETA CELL EXPANSION FACTOR A (BEFA)
Descriptor: BETA CELL EXPANSION FACTOR A (BEFA), CITRIC ACID
Authors:Sweeney, E.G.
Deposit date:2021-07-14
Release date:2022-07-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:BefA, a microbiota-secreted membrane disrupter, disseminates to the pancreas and increases beta cell mass.
Cell Metab., 34, 2022
2PNL
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BU of 2pnl by Molmil
Crystal structure of VP4 protease from infectious pancreatic necrosis virus (IPNV) in space group P1
Descriptor: GUANIDINE, Protease VP4
Authors:Paetzel, M, Lee, J, Feldman, A.R, Delmas, B.
Deposit date:2007-04-24
Release date:2007-06-05
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of the VP4 protease from infectious pancreatic necrosis virus reveals the acyl-enzyme complex for an intermolecular self-cleavage reaction.
J.Biol.Chem., 282, 2007
8EST
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BU of 8est by Molmil
REACTION OF PORCINE PANCREATIC ELASTASE WITH 7-SUBSTITUTED 3-ALKOXY-4-CHLOROISOCOUMARINS: DESIGN OF POTENT INHIBITORS USING THE CRYSTAL STRUCTURE OF THE COMPLEX FORMED WITH 4-CHLORO-3-ETHOXY-7-GUANIDINO-ISOCOUMARIN
Descriptor: CALCIUM ION, ETHYL-(2-CARBOXY-4-GUANIDINIUM-PHENYL)-CHLOROACETATE, PORCINE PANCREATIC ELASTASE, ...
Authors:Radhakrishnan, R, Powers, J.C, Meyerjunior, E.F.
Deposit date:1990-02-21
Release date:1992-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Reaction of porcine pancreatic elastase with 7-substituted 3-alkoxy-4-chloroisocoumarins: design of potent inhibitors using the crystal structure of the complex formed with 4-chloro-3-ethoxy-7-guanidinoisocoumarin.
Biochemistry, 29, 1990
4J6R
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BU of 4j6r by Molmil
Crystal structure of broadly and potently neutralizing antibody VRC23 in complex with HIV-1 gp120
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, ...
Authors:Zhou, T, Moquin, S, Kwong, P.D.
Deposit date:2013-02-11
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Delineating antibody recognition in polyclonal sera from patterns of HIV-1 isolate neutralization.
Science, 340, 2013
8OVB
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BU of 8ovb by Molmil
Human Complement C3b in complex with Trypanosoma brucei ISG65.
Descriptor: Complement C3, Complement C3f fragment, ISG65 G
Authors:Cook, A.D, Higgins, M.K.
Deposit date:2023-04-25
Release date:2024-02-14
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular mechanism of complement inhibition by the trypanosome receptor ISG65.
Elife, 12, 2024
8P7O
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BU of 8p7o by Molmil
Isopenicillin N synthase in complex with Fe and Aad-Cys-[(S)-1-amino-2-methylpropane-1-sulfonic acid]
Descriptor: (2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{S})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid, FE (III) ION, Isopenicillin N synthase, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2023-05-30
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Isopenicillin N synthase in complex with Fe and Aad-Cys-[(S)-1-amino-2-methylpropane-1-sulfonic acid]
To Be Published
6XIN
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BU of 6xin by Molmil
The crystal structure of tryptophan synthase from Salmonella enterica serovar typhimurium in complex with (2S)-3-Amino-3-imino-2-phenyldiazenylpropanamide at the enzyme alpha-site.
Descriptor: (2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide, 1,2-ETHANEDIOL, CESIUM ION, ...
Authors:Hilario, E, Chang, C, Mueller, L.J, Dunn, M.F, Fan, L.
Deposit date:2020-06-20
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The crystal structure of tryptophan synthase from Salmonella enterica serovar typhimurium in complex with (2S)-3-Amino-3-imino-2-phenyldiazenylpropanamide at the enzyme alpha-site.
To Be Published
8P7P
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BU of 8p7p by Molmil
Isopenicillin N synthase in complex with Fe and Aad-Val-[(R)-1-amino-2-methylpropane-1-sulfonic acid]
Descriptor: (2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{R})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid, FE (III) ION, Isopenicillin N synthase, ...
Authors:Rabe, P, Schofield, C.J.
Deposit date:2023-05-30
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Isopenicillin N synthase in complex with Fe and Aad-Val-[(R)-1-amino-2-methylpropane-1-sulfonic acid]
To Be Published
7QT2
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BU of 7qt2 by Molmil
Antibody FenAb208 - fentanyl complex
Descriptor: Antibody heavy chain, Antibody light chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Authors:Zeelen, J.P, Straaten van, M, Stebbins, C.E.
Deposit date:2022-01-14
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
7QT0
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BU of 7qt0 by Molmil
Antibody FenAb136 - fentanyl complex
Descriptor: 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain
Authors:Zeelen, J.P, Straaten van, M, Stebbins, C.E.
Deposit date:2022-01-14
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
7QT4
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BU of 7qt4 by Molmil
Antibody FenAb709 - fentanyl complex
Descriptor: 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain
Authors:Zeelen, J.P, Straaten van, M, Stebbins, C.E.
Deposit date:2022-01-14
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
7QT3
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BU of 7qt3 by Molmil
Antibody FenAb609 - fentanyl complex
Descriptor: Antibody heavy chain, Antibody light chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Authors:Zeelen, J.P, Straaten van, M, Stebbins, C.E.
Deposit date:2022-01-14
Release date:2023-05-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
1BTI
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BU of 1bti by Molmil
CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR
Authors:Housset, D, Tao, F, Kim, K.-S, Fuchs, J, Woodward, C, Wlodawer, A.
Deposit date:1991-07-11
Release date:1993-10-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.
Protein Sci., 2, 1993
3MJN
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BU of 3mjn by Molmil
Crystal Structure of the complex of C-lobe of lactoferrin with isopropylamino-3-(1-naphthyloxy)propan-2-ol at 2.38 A Resolution
Descriptor: (1E,2R)-1-(ISOPROPYLIMINO)-3-(1-NAPHTHYLOXY)PROPAN-2-OL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ...
Authors:Srivastava, K, Vikram, G, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2010-04-13
Release date:2010-06-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal Structure of the complex of C-lobe of lactoferrin with isopropylamino-3-(1-naphthyloxy)propan-2-ol at 2.38 A Resolution
To be Published
8CN5
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BU of 8cn5 by Molmil
Pa.FabF-C164Q in complex with propan-2-yl 1~{H}-pyrazole-3-carboxylate
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Georgiou, C, Brenk, R.
Deposit date:2023-02-22
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8CNE
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BU of 8cne by Molmil
Pa.FabF-C164A in complex with N-(propan-2-yl)-1H-pyrazole-3-carboxamide
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O.
Deposit date:2023-02-22
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8FEN
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BU of 8fen by Molmil
Panicum vigratum Dihydroflavonol 4-reductase complexed with NADP and DHQ
Descriptor: (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Panicum virgatum Dihydroflavonol 4-Reductase
Authors:Lewis, J.A, Kang, C.
Deposit date:2022-12-06
Release date:2023-09-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway.
Int J Mol Sci, 24, 2023
6XZ6
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BU of 6xz6 by Molmil
Structure of the trypanosome brucei factor H receptor bound to domain D5 of bovine factor H
Descriptor: Complement factor H, GARP domain-containing protein
Authors:Macleod, O.J.S, Carrington, M, Higgins, M.K.
Deposit date:2020-02-02
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A receptor for the complement regulator factor H increases transmission of trypanosomes to tsetse flies.
Nat Commun, 11, 2020
7PTI
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BU of 7pti by Molmil
STRUCTURAL EFFECTS INDUCED BY REMOVAL OF A DISULFIDE BRIDGE. THE X-RAY STRUCTURE OF THE C30A(SLASH)C51A MUTANT OF BASIC PANCREATIC TRYPSIN INHIBITOR AT 1.6 ANGSTROMS
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION
Authors:Eigenbrot, C, Randal, M, Kossiakoff, A.A.
Deposit date:1990-03-08
Release date:1991-04-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural effects induced by removal of a disulfide-bridge: the X-ray structure of the C30A/C51A mutant of basic pancreatic trypsin inhibitor at 1.6 A.
Protein Eng., 3, 1990
1AAL
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BU of 1aal by Molmil
STRUCTURAL EFFECTS INDUCED BY MUTAGENESIS AFFECTED BY CRYSTAL PACKING FACTORS: THE STRUCTURE OF A 30-51 DISULFIDE MUTANT OF BASIC PANCREATIC TRYPSIN INHIBITOR
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION
Authors:Eigenbrot, C, Randal, M, Kossiakoff, A.A.
Deposit date:1992-04-09
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural effects induced by mutagenesis affected by crystal packing factors: the structure of a 30-51 disulfide mutant of basic pancreatic trypsin inhibitor.
Proteins, 14, 1992
3OPZ
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BU of 3opz by Molmil
Crystal structure of trans-sialidase in complex with the Fab fragment of a neutralizing monoclonal IgG antibody
Descriptor: 1,4-DIETHYLENE DIOXIDE, SODIUM ION, Trans-sialidase, ...
Authors:Larrieux, N, Muia, R, Campetella, O, Buschiazzo, A.
Deposit date:2010-09-02
Release date:2011-11-09
Last modified:2021-10-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Trypanosoma cruzi trans-sialidase in complex with a neutralizing antibody: structure/function studies towards the rational design of inhibitors.
Plos Pathog., 8, 2012
2LML
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BU of 2lml by Molmil
Solution NMR structure of holo acyl carrier protein from geobacter Metallireducens refined with nh rdcs, Northeast Structural Genomics consortium target gmr141
Descriptor: 4'-PHOSPHOPANTETHEINE, Putative acyl carrier protein
Authors:Ramelot, T.A, Smola, M.J, Lee, H, Zhao, L, Ciccosanti, C, Foote, E.L, Hamilton, K, Nair, R, Rost, B, Swapna, G, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-12-05
Release date:2012-01-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of 4'-phosphopantetheine - GmACP3 from Geobacter metallireducens: a specialized acyl carrier protein with atypical structural features and a putative role in lipopolysaccharide biosynthesis.
Biochemistry, 50, 2011
6UBW
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BU of 6ubw by Molmil
MET Tyrosine Kinase Inhibition Enhances the Antitumor Efficacy of an HGF Antibody
Descriptor: CHLORIDE ION, Hepatocyte growth factor receptor, N-(6-{difluoro[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide
Authors:Hoffman, I.D, Lawson, J.D.
Deposit date:2019-09-13
Release date:2020-02-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:MET Tyrosine Kinase Inhibition Enhances the Antitumor Efficacy of an HGF Antibody.
Mol.Cancer Ther., 16, 2017

223790

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