8DXH
 
 | | HIV-1 reverse transcriptase/rilpivirine with bound fragment 5-fluoroquinazolin-4-ol at W266 site | | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, 5-fluoranyl-3,4-dihydroquinazolin-4-ol, ... | | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | | Deposit date: | 2022-08-02 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening.
J.Med.Chem., 66, 2023
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1G9W
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1N3N
 | | Crystal structure of a mycobacterial hsp60 epitope with the murine class I MHC molecule H-2Db | | Descriptor: | BETA-2-MICROGLOBULIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, D-B ALPHA CHAIN, ... | | Authors: | Ciatto, C, Capitani, G, Tissot, A.C, Pecorari, F, Pluckthun, A, Grutter, M.G. | | Deposit date: | 2002-10-29 | | Release date: | 2003-05-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural analysis of mycobacterial
and murine hsp60 epitopes in
complex with the class I MHC
molecule H-2D(b)
FEBS Lett., 543, 2003
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1NHQ
 | | CRYSTALLOGRAPHIC ANALYSES OF NADH PEROXIDASE CYS42ALA AND CYS42SER MUTANTS: ACTIVE SITE STRUCTURE, MECHANISTIC IMPLICATIONS, AND AN UNUSUAL ENVIRONMENT OF ARG303 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH PEROXIDASE, SULFATE ION | | Authors: | Mande, S.S, Claiborne, A, Hol, W.G.J. | | Deposit date: | 1994-12-09 | | Release date: | 1995-02-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic analyses of NADH peroxidase Cys42Ala and Cys42Ser mutants: active site structures, mechanistic implications, and an unusual environment of Arg 303.
Biochemistry, 34, 1995
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6HZK
 | | Crystal structure of redox-inhibited phosphoribulokinase from Synechococcus sp. (strain PCC 6301) | | Descriptor: | Phosphoribulokinase | | Authors: | Wilson, R.H, Bracher, A, Hartl, F.U, Hayer-Hartl, M. | | Deposit date: | 2018-10-23 | | Release date: | 2019-03-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of phosphoribulokinase from Synechococcus sp. strain PCC 6301.
Acta Crystallogr.,Sect.F, 75, 2019
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8DX8
 | | HIV-1 reverse transcriptase/rilpivirine with bound fragment 2-chloro-6-fluorophenethylamine at the 415 site | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-chloro-6-fluorophenyl)ethan-1-amine, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | | Deposit date: | 2022-08-02 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening.
J.Med.Chem., 66, 2023
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4KO4
 | | High X-ray dose structure of anaerobically purified Dm. baculatum [NiFeSe]-hydrogenase after crystallization under air | | Descriptor: | CALCIUM ION, CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, ... | | Authors: | Volbeda, A, Cavazza, C, Fontecilla-Camps, J.C. | | Deposit date: | 2013-05-11 | | Release date: | 2013-07-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural foundations for the O2 resistance of Desulfomicrobium baculatum [NiFeSe]-hydrogenase.
Chem.Commun.(Camb.), 49, 2013
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6I0R
 | | Structure of quinolinate synthase in complex with 5-mercaptopyridine-2,3-dicarboxylic acid | | Descriptor: | 5-mercaptopyridine-2,3-dicarboxylic acid, FE (III) ION, HYDROSULFURIC ACID, ... | | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | | Deposit date: | 2018-10-26 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design of specific inhibitors of quinolinate synthase based on [4Fe-4S] cluster coordination.
Chem.Commun.(Camb.), 55, 2019
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1N7L
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4A75
 | | The Lin28b Cold shock domain in complex with hexathymidine. | | Descriptor: | 5'-D(*TP*TP*TP*TP*TP*TP)-3', LIN28 COLD SHOCK DOMAIN, THIOCYANATE ION | | Authors: | Mayr, F, Schuetz, A, Doege, N, Heinemann, U. | | Deposit date: | 2011-11-11 | | Release date: | 2012-09-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The Lin28 Cold-Shock Domain Remodels Pre-Let-7 Microrna.
Nucleic Acids Res., 40, 2012
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6HRR
 | | Structure of the TRPML2 ELD at pH 6.5 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | | Authors: | Bader, N, Viet, K.K, Wagner, A, Hellmich, U.A. | | Deposit date: | 2018-09-28 | | Release date: | 2019-06-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the Human TRPML2 Ion Channel Extracytosolic/Lumenal Domain.
Structure, 27, 2019
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6HAI
 | | AlbAM131A mutant in complex with albicidin , albicidin resistance protein | | Descriptor: | 4-[[4-[[4-[(3~{S})-3-[[4-[[(~{E})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid, Albicidin resistance protein, SULFATE ION | | Authors: | Koehnke, J, Sikandar, A. | | Deposit date: | 2018-08-07 | | Release date: | 2018-11-21 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Adaptation of a Bacterial Multidrug Resistance System Revealed by the Structure and Function of AlbA.
J.Am.Chem.Soc., 140, 2018
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6HB3
 | | Structure of Hgh1, crystal form II | | Descriptor: | Protein HGH1 | | Authors: | Moenkemeyer, L, Klaips, C.L, Balchin, D, Koerner, R, Hartl, F.U, Bracher, A. | | Deposit date: | 2018-08-09 | | Release date: | 2019-02-27 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Chaperone Function of Hgh1 in the Biogenesis of Eukaryotic Elongation Factor 2.
Mol.Cell, 74, 2019
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8DXM
 | | HIV-1 reverse transcriptase/rilpivirine with bound fragment 4-bromophenol at the Knuckles site | | Descriptor: | 1,2-ETHANEDIOL, 4-BROMOPHENOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | | Deposit date: | 2022-08-02 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening.
J.Med.Chem., 66, 2023
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1CPX
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8DXI
 | | HIV-1 reverse transcriptase/rilpivirine with bound fragment [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol at multiple sites | | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | | Deposit date: | 2022-08-02 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening.
J.Med.Chem., 66, 2023
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5LPR
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6HES
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT050 | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | | Deposit date: | 2018-08-20 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.128 Å) | | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
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1MXT
 | | Atomic resolution structure of Cholesterol oxidase (Streptomyces sp. SA-COO) | | Descriptor: | CHOLESTEROL OXIDASE, FLAVIN-N7 PROTONATED-ADENINE DINUCLEOTIDE, OXYGEN MOLECULE, ... | | Authors: | Vrielink, A, Lario, P.I. | | Deposit date: | 2002-10-03 | | Release date: | 2003-02-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Sub-atomic resolution crystal structure of cholesterol oxidase:
What atomic resolution crystallography reveals about enzyme mechanism and the role of FAD cofactor in redox activity
J.Mol.Biol., 326, 2003
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6HG4
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6HEX
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATMM006 | | Descriptor: | 4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | | Deposit date: | 2018-08-20 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.413 Å) | | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
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4KN9
 | | High-resolution structure of H2-activated anaerobically purified Dm. baculatum [NiFeSe]-hydrogenase after crystallization under air | | Descriptor: | CALCIUM ION, CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, ... | | Authors: | Volbeda, A, Cavazza, C, Fontecilla-Camps, J.C. | | Deposit date: | 2013-05-09 | | Release date: | 2013-07-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural foundations for the O2 resistance of Desulfomicrobium baculatum [NiFeSe]-hydrogenase.
Chem.Commun.(Camb.), 49, 2013
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6HH5
 | | ADP-ribosylserine hydrolase ARH3 of Latimeria chalumnae in complex with ADP-HPM | | Descriptor: | ADP-ribosylhydrolase like 2, Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol, GLYCEROL, ... | | Authors: | Ariza, A. | | Deposit date: | 2018-08-24 | | Release date: | 2018-11-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | (ADP-ribosyl)hydrolases: Structural Basis for Differential Substrate Recognition and Inhibition.
Cell Chem Biol, 25, 2018
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6HGA
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1MIC
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