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4E3I	Crystal structure of AmpC beta-lactamase in complex with a designed 3-carboxyl benzyl sulfonamide boronic acid inhibitor Descriptor: 3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, PHOSPHATE ION Authors: Eidam, O, Shoichet, B.K. Deposit date: 2012-03-09 Release date: 2012-09-26 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3L	Crystal structure of AmpC beta-lactamase in complex with a 3-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor Descriptor: Beta-lactamase, PHOSPHATE ION, [({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid Authors: Eidam, O, Shoichet, B.K. Deposit date: 2012-03-09 Release date: 2012-09-26 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3M	Crystal structure of AmpC beta-lactamase in complex with a 2-chloro-4-tetrazolyl benzene sulfonamide boronic acid inhibitor Descriptor: Beta-lactamase, PHOSPHATE ION, [({[2-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid Authors: Eidam, O, Shoichet, B.K. Deposit date: 2012-03-09 Release date: 2012-09-26 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.44 Å) Cite: Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4E3O	Crystal structure of AmpC beta-lactamase in complex with a small chloromethyl sulfonamide boronic acid inhibitor Descriptor: ({[(chloromethyl)sulfonyl]amino}methyl)boronic acid, Beta-lactamase, PHOSPHATE ION Authors: Eidam, O, Shoichet, B.K. Deposit date: 2012-03-09 Release date: 2012-09-26 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Fragment-guided design of subnanomolar beta-lactamase inhibitors active in vivo. Proc.Natl.Acad.Sci.USA, 109, 2012
4L4X	An A2-type ketoreductase from a modular polyketide synthase Descriptor: AmphI, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Zheng, J, Keatinge-Clay, A.T. Deposit date: 2013-06-10 Release date: 2013-06-19 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Structural Studies of an A2-Type Modular Polyketide Synthase Ketoreductase Reveal Features Controlling alpha-Substituent Stereochemistry. Acs Chem.Biol., 8, 2013
7SAY	Fragment of streptococcal M87 protein fused to GCN4 adaptor in complex with human cathelicidin Descriptor: 1,2-ETHANEDIOL, Antibacterial peptide LL-37, General control transcription factor GCN4/M protein chimera Authors: Kolesinski, P, Ghosh, P. Deposit date: 2021-09-23 Release date: 2022-07-13 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.1 Å) Cite: An M protein coiled coil unfurls and exposes its hydrophobic core to capture LL-37 Elife, 11, 2022
1M35	Aminopeptidase P from Escherichia coli Descriptor: AMINOPEPTIDASE P, MANGANESE (II) ION Authors: Graham, S.C, Lee, M, Freeman, H.C, Guss, J.M. Deposit date: 2002-06-27 Release date: 2003-05-06 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.4 Å) Cite: An orthorhombic form of Escherichia coli aminopeptidase P at 2.4 A resolution. Acta Crystallogr.,Sect.D, 59, 2003
4GN0	De novo phasing of a Hamp-complex using an improved Arcimboldo method Descriptor: Hamp domain of AF1503, MAGNESIUM ION Authors: Hulko, M, Ursinus, A, Bar, K, Martin, J, Zeth, K, Lupas, A.N. Deposit date: 2012-08-16 Release date: 2013-09-11 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Exploiting tertiary structure through local folds for crystallographic phasing. Nat.Methods, 10, 2013
3IIS	Structure of the reconstituted Peridinin-Chlorophyll a-Protein (RFPCP) Descriptor: (2S)-3-[(6-O-alpha-D-galactopyranosyl-beta-D-galactopyranosyl)oxy]-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate, CADMIUM ION, CHLORIDE ION, ... Authors: Schulte, T, Hofmann, E. Deposit date: 2009-08-03 Release date: 2009-11-24 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Identification of a single peridinin sensing Chl-a excitation in reconstituted PCP by crystallography and spectroscopy. Proc.Natl.Acad.Sci.USA, 106, 2009
3IIU	Structure of the reconstituted Peridinin-Chlorophyll a-Protein (RFPCP) mutant N89L Descriptor: (2S)-3-[(6-O-alpha-D-galactopyranosyl-beta-D-galactopyranosyl)oxy]-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate, CADMIUM ION, CHLORIDE ION, ... Authors: Schulte, T, Hofmann, E. Deposit date: 2009-08-03 Release date: 2009-11-24 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Identification of a single peridinin sensing Chl-a excitation in reconstituted PCP by crystallography and spectroscopy. Proc.Natl.Acad.Sci.USA, 106, 2009
3IWI	X-ray crystal structure of the extended-spectrum AmpC omega loop insertion (H210AAA) mutant beta-lactamase at 1.64 Angstrom resolution Descriptor: Beta-lactamase, PHOSPHATE ION Authors: Shoichet, B.K, Thomas, V.L. Deposit date: 2009-09-02 Release date: 2010-02-16 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Structural bases for stability-function tradeoffs in antibiotic resistance. J.Mol.Biol., 396, 2010
5UJB	Structure of a Mcl-1 Inhibitor Binding to Site 3 of Human Serum Albumin Descriptor: 4-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-6-carboxylic acid, PHOSPHATE ION, Serum albumin Authors: Zhao, B. Deposit date: 2017-01-17 Release date: 2017-05-03 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structure of a Myeloid cell leukemia-1 (Mcl-1) inhibitor bound to drug site 3 of Human Serum Albumin. Bioorg. Med. Chem., 25, 2017
3IWO	X-ray crystal structure of the extended-spectrum AmpC Y221G mutant beta-lactamase at 1.90 Angstrom resolution Descriptor: Beta-lactamase, PHOSPHATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose Authors: Shoichet, B.K, Thomas, V.L. Deposit date: 2009-09-03 Release date: 2010-02-16 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural bases for stability-function tradeoffs in antibiotic resistance. J.Mol.Biol., 396, 2010
3IXG	X-ray crystal structure of the extended-spectrum AmpC T70I mutant beta-lactamase with and without benzo(b)thiophene-2-boronic acid bound at 2.14 Angstrom resolution Descriptor: BENZO[B]THIOPHENE-2-BORONIC ACID, Beta-lactamase Authors: Shoichet, B.K, Thomas, V.L. Deposit date: 2009-09-04 Release date: 2010-02-16 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.14 Å) Cite: Structural bases for stability-function tradeoffs in antibiotic resistance. J.Mol.Biol., 396, 2010
3IQW	AMPPNP complex of C. therm. Get3 Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tail-anchored protein targeting factor Get3, ... Authors: Bozkurt, G, Wild, K, Sinning, I. Deposit date: 2009-08-21 Release date: 2009-12-15 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural insights into tail-anchored protein binding and membrane insertion by Get3. Proc.Natl.Acad.Sci.USA, 106, 2009
3IXH	X-ray crystal structure of the extended-spectrum AmpC Y221G mutant beta-lactamase in complex with cefotaxime at 2.3 Angstrom resolution Descriptor: Beta-lactamase, CEFOTAXIME, C3' cleaved, ... Authors: Shoichet, B.K, Thomas, V.L. Deposit date: 2009-09-04 Release date: 2010-02-16 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural bases for stability-function tradeoffs in antibiotic resistance. J.Mol.Biol., 396, 2010
3IWQ	X-ray crystal structure of the extended-spectrum AmpC E219K mutant beta-lactamase at 1.84 Angstrom resolution Descriptor: Beta-lactamase, PHOSPHATE ION Authors: Shoichet, B.K, Thomas, V.L. Deposit date: 2009-09-03 Release date: 2010-02-16 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Structural bases for stability-function tradeoffs in antibiotic resistance. J.Mol.Biol., 396, 2010
3IXB	X-ray crystal structure of the extended-spectrum AmpC E219K mutant beta-lactamase complexed with benzo(b)thiophene-2-boronic acid (BZB) at 1.63 Angstrom resolution Descriptor: BENZO[B]THIOPHENE-2-BORONIC ACID, Beta-lactamase, PHOSPHATE ION Authors: Shoichet, B.K, Thomas, V.L. Deposit date: 2009-09-03 Release date: 2010-02-16 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Structural bases for stability-function tradeoffs in antibiotic resistance. J.Mol.Biol., 396, 2010
3IXD	X-ray crystal structure of the extended-spectrum AmpC V298E mutant beta-lactamase at 2.64 Angstrom resolution Descriptor: Beta-lactamase, SULFATE ION Authors: Shoichet, B.K, Thomas, V.L. Deposit date: 2009-09-03 Release date: 2010-02-16 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.64 Å) Cite: Structural bases for stability-function tradeoffs in antibiotic resistance. J.Mol.Biol., 396, 2010
2K6O	Human LL-37 Structure Descriptor: Cathelicidin antimicrobial peptide Authors: Wang, G. Deposit date: 2008-07-14 Release date: 2008-09-23 Last modified: 2024-05-29 Method: SOLUTION NMR Cite: Structures of human host defense cathelicidin LL-37 and its smallest antimicrobial peptide KR-12 in lipid micelles J.Biol.Chem., 283, 2008
6S6N	Crystal structure of the Gorilla LL37(17-29) antimicrobial peptide Descriptor: Cathelicidin antimicrobial peptide Authors: Landau, M, Engelberg, Y. Deposit date: 2019-07-03 Release date: 2020-08-19 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.1 Å) Cite: The Human LL-37(17-29) antimicrobial peptide reveals a functional supramolecular structure. Nat Commun, 11, 2020
6S6M	Crystal structure of the human LL37(17-29) antimicrobial peptide Descriptor: Cathelicidin antimicrobial peptide Authors: Landau, M, Engelberg, Y. Deposit date: 2019-07-03 Release date: 2020-08-19 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (1.35 Å) Cite: The Human LL-37(17-29) antimicrobial peptide reveals a functional supramolecular structure. Nat Commun, 11, 2020
8G1N	Structure of Campylobacter concisus PglC I57M/Q175M Variant with modeled C-terminus Descriptor: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, MAGNESIUM ION, N,N'-diacetylbacilliosaminyl-1-phosphate transferase, ... Authors: Dodge, G.J, Ray, L.C, Das, D, Imperiali, B, Allen, K.N. Deposit date: 2023-02-02 Release date: 2023-05-31 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.74 Å) Cite: Co-conserved sequence motifs are predictive of substrate specificity in a family of monotopic phosphoglycosyl transferases. Protein Sci., 32, 2023
2LQD	Reduced and CO-bound cytochrome P450cam (CYP101A1) Descriptor: CARBON MONOXIDE, Camphor 5-monooxygenase, POTASSIUM ION, ... Authors: Pochapsky, T.C, Pochapsky, S.S, Asciutto, E, Madura, J, Young, M.J. Deposit date: 2012-03-02 Release date: 2012-05-09 Last modified: 2024-05-01 Method: SOLUTION NMR Cite: Solution Structural Ensembles of Substrate-Free Cytochrome P450(cam). Biochemistry, 51, 2012
7MNH	V59W mutant of Dehaloperoxidase A from Amphitrite ornata treated with Fluoride Descriptor: Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION Authors: Shay, M.R, Thompson, M.K, Franzen, S. Deposit date: 2021-04-30 Release date: 2021-11-24 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.24 Å) Cite: A new inhibition mechanism in the multifunctional catalytic hemoglobin dehaloperoxidase as revealed by the DHP A(V59W) mutant: A spectroscopic and crystallographic study J Porphyr Phthalocyanines, 25, 2021

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