5MON
 
 | | Joint X-ray/neutron structure of cationic trypsin in complex with 2-aminopyridine | | Descriptor: | 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-14 | | Release date: | 2017-05-24 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (0.939 Å), X-RAY DIFFRACTION | | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5MOS
 | | Joint X-ray/neutron structure of cationic trypsin in complex with N-amidinopiperidine | | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-14 | | Release date: | 2018-02-28 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (0.96 Å), X-RAY DIFFRACTION | | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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1IUF
 | | LOW RESOLUTION SOLUTION STRUCTURE OF THE TWO DNA-BINDING DOMAINS IN Schizosaccharomyces pombe ABP1 PROTEIN | | Descriptor: | centromere abp1 protein | | Authors: | Kikuchi, J, Iwahara, J, Kigawa, T, Murakami, Y, Okazaki, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-03-04 | | Release date: | 2002-06-05 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure determination of the two DNA-binding domains in the Schizosaccharomyces pombe Abp1 protein by a combination of dipolar coupling and diffusion anisotropy restraints.
J.Biomol.NMR, 22, 2002
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4LOX
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1BAZ
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6SSZ
 | | Structure of the Plasmodium falciparum falcipain 2 protease in complex with an (E)-chalcone inhibitor. | | Descriptor: | (~{E})-3-(1,3-benzodioxol-5-yl)-1-(3-nitrophenyl)prop-2-en-1-one, Cysteine proteinase falcipain 2a | | Authors: | Machin, J, Kantsadi, A, Vakonakis, I. | | Deposit date: | 2019-09-09 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | The complex of Plasmodium falciparum falcipain-2 protease with an (E)-chalcone-based inhibitor highlights a novel, small, molecule-binding site.
Malar.J., 18, 2019
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4LQ0
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6O2D
 | | Schizosaccharomyces pombe Cnp3 Cupin Domain | | Descriptor: | Inner kinetochore subunit cnp3 | | Authors: | Chik, J.K, Cho, U.S. | | Deposit date: | 2019-02-22 | | Release date: | 2019-08-21 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structures of CENP-C cupin domains at regional centromeres reveal unique patterns of dimerization and recruitment functions for the inner pocket.
J.Biol.Chem., 294, 2019
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6O2K
 | | Drosophila melanogaster CENP-C cupin domain | | Descriptor: | Centromeric protein-C, isoform A | | Authors: | Chik, J.K, Cho, U.S. | | Deposit date: | 2019-02-23 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structures of CENP-C cupin domains at regional centromeres reveal unique patterns of dimerization and recruitment functions for the inner pocket.
J.Biol.Chem., 294, 2019
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5V4L
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5V33
 | | R. sphaeroides photosythetic reaction center mutant - Residue L223, Ser to Trp - Room Temperature Structure Solved on X-ray Transparent Microfluidic Chip | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ... | | Authors: | Schieferstein, J.M, Pawate, A.S, Sun, C, Wan, F, Broecker, J, Ernst, O.P, Gennis, R.B, Kenis, P.J.A. | | Deposit date: | 2017-03-06 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.487 Å) | | Cite: | X-ray transparent microfluidic chips for high-throughput screening and optimization of in meso membrane protein crystallization.
Biomicrofluidics, 11, 2017
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3JB5
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6KZL
 | | Crystal Structure Of NDM-1 Metallo-beta-lactamase In Complex With Inhibitor X2 | | Descriptor: | 2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid, Beta-lactamase, SULFATE ION, ... | | Authors: | Wachino, J. | | Deposit date: | 2019-09-24 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.763 Å) | | Cite: | Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance.
Mbio, 11, 2020
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6KXO
 | | Crystal Structure Of VIM-2 Metallo-beta-lactamase In Complex With Inhibitor NO9 | | Descriptor: | 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... | | Authors: | Wachino, J. | | Deposit date: | 2019-09-12 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance.
Mbio, 11, 2020
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1HLU
 | | STRUCTURE OF BOVINE BETA-ACTIN-PROFILIN COMPLEX WITH ACTIN BOUND ATP PHOSPHATES SOLVENT ACCESSIBLE | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, BETA-ACTIN, CALCIUM ION, ... | | Authors: | Chik, J.K, Lindberg, U, Schutt, C.E. | | Deposit date: | 1997-05-30 | | Release date: | 1997-10-15 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The structure of an open state of beta-actin at 2.65 A resolution.
J.Mol.Biol., 263, 1996
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3TM2
 | | Crystal structure of mature ThnT with a covalently bound product mimic | | Descriptor: | (2R)-N-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide, cysteine transferase | | Authors: | Schildbach, J.F, Wright, N.T, Buller, A.R. | | Deposit date: | 2011-08-30 | | Release date: | 2012-07-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Autoproteolytic Activation of ThnT Results in Structural Reorganization Necessary for Substrate Binding and Catalysis.
J.Mol.Biol., 422, 2012
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3TM1
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5AXR
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5B15
 | | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Doripenem | | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Metallo-beta-lactamase, SODIUM ION, ... | | Authors: | Wachino, J, Arakawa, Y. | | Deposit date: | 2015-11-23 | | Release date: | 2016-05-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Doripenem
To Be Published
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7AWT
 | | E. coli NADH quinone oxidoreductase hydrophilic arm | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ... | | Authors: | Schimpf, J, Grishkovskaya, I, Haselbach, D, Friedrich, T. | | Deposit date: | 2020-11-09 | | Release date: | 2021-09-15 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.73 Å) | | Cite: | Structure of the peripheral arm of a minimalistic respiratory complex I.
Structure, 30, 2022
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6K4T
 | | Crystal structure of SMB-1 metallo-beta-lactamase in a complex with TSA | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-sulfanylbenzoic acid, Metallo-beta-lactamase, ... | | Authors: | Wachino, J. | | Deposit date: | 2019-05-27 | | Release date: | 2019-08-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | 4-Amino-2-Sulfanylbenzoic Acid as a Potent Subclass B3 Metallo-beta-Lactamase-Specific Inhibitor Applicable for Distinguishing Metallo-beta-Lactamase Subclasses.
Antimicrob.Agents Chemother., 63, 2019
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5B1U
 | | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Imipenem | | Descriptor: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, Metallo-beta-lactamase, SODIUM ION, ... | | Authors: | Wachino, J, Arakawa, Y. | | Deposit date: | 2015-12-20 | | Release date: | 2016-05-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Imipenem
To be published
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1N6V
 | | Average structure of the interferon-binding ectodomain of the human type I interferon receptor | | Descriptor: | Interferon-alpha/beta receptor beta chain | | Authors: | Chill, J.H, Quadt, S.R, Levy, R, Schreiber, G, Anglister, J. | | Deposit date: | 2002-11-12 | | Release date: | 2003-07-15 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The human type I interferon receptor. NMR structure reveals the molecular basis of ligand binding.
Structure, 11, 2003
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8DSF
 | | Structure of cIAP1 with BCCov | | Descriptor: | (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide unbound form, Baculoviral IAP repeat-containing protein 2, ZINC ION | | Authors: | Schiemer, J.S, Calabrese, M.F. | | Deposit date: | 2022-07-22 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A covalent BTK ternary complex compatible with targeted protein degradation.
Nat Commun, 14, 2023
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5AXO
 | | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Meropenem | | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Metallo-beta-lactamase, ... | | Authors: | Wachino, J, Arakawa, Y. | | Deposit date: | 2015-07-31 | | Release date: | 2016-05-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Crystal Structure of Metallo-beta-Lactamase SMB-1 Bound to Hydrolyzed Meropenem
To Be Published
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