6YUG
 
 | | Crystal structure of C. parvum GNA1 in complex with acetyl-CoA and glucose 6P. | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, Diamine acetyltransferase | | Authors: | Chi, J, Cova, M, de las Rivas, M, Medina, A, Borges, R, Leivar, P, Planas, A, Uson, I, Hurtado-Guerrero, R, Izquierdo, L. | | Deposit date: | 2020-04-27 | | Release date: | 2020-09-30 | | Last modified: | 2020-11-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Plasmodium falciparum Apicomplexan-Specific Glucosamine-6-Phosphate N -Acetyltransferase Is Key for Amino Sugar Metabolism and Asexual Blood Stage Development.
Mbio, 11, 2020
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4EU2
 | | Crystal structure of 20s proteasome with novel inhibitor K-7174 | | Descriptor: | 1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane, Proteasome component C1, Proteasome component C11, ... | | Authors: | Kikuchi, J, Shibayama, N, Yamada, S, Wada, T, Nobuyoshi, M, Izumi, T, Akutsu, M, Kano, Y, Ohki, M, Sugiyama, K, Park, S.-Y, Furukawa, Y. | | Deposit date: | 2012-04-25 | | Release date: | 2013-05-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.509 Å) | | Cite: | Homopiperazine derivatives as a novel class of proteasome inhibitors with a unique mode of proteasome binding.
Plos One, 8, 2013
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1BDT
 | | WILD TYPE GENE-REGULATING PROTEIN ARC/DNA COMPLEX | | Descriptor: | DNA (5'-D(*AP*AP*TP*GP*AP*TP*AP*GP*AP*AP*GP*CP*AP*CP*TP*CP*TP*AP*CP*TP*AP*T)-3'), DNA (5'-D(*TP*AP*TP*AP*GP*TP*AP*GP*AP*GP*TP*GP*CP*TP*TP*CP*TP*AP*TP*CP*AP*T)-3'), PROTEIN (GENE-REGULATING PROTEIN ARC) | | Authors: | Schilbach, J.F, Karzai, A.W, Raumann, B.E, Sauer, R.T. | | Deposit date: | 1998-05-11 | | Release date: | 1999-02-16 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Origins of DNA-binding specificity: role of protein contacts with the DNA backbone.
Proc.Natl.Acad.Sci.USA, 96, 1999
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6KXI
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3VPE
 | | Crystal Structure of Metallo-beta-Lactamase SMB-1 | | Descriptor: | ACETATE ION, GLYCEROL, Metallo-beta-lactamase, ... | | Authors: | Wachino, J, Yamaguchi, Y, Mori, S, Arakawa, Y, Shibayama, K. | | Deposit date: | 2012-02-29 | | Release date: | 2013-02-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Insights into the Subclass B3 Metallo-beta-Lactamase SMB-1 and the Mode of Inhibition by the Common Metallo- -Lactamase Inhibitor Mercaptoacetate
Antimicrob.Agents Chemother., 57, 2013
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3VQZ
 | | Crystal structure of metallo-beta-lactamase, SMB-1, in a complex with mercaptoacetic acid | | Descriptor: | Metallo-beta-lactamase, SODIUM ION, SULFANYLACETIC ACID, ... | | Authors: | Wachino, J, Yamaguchi, Y, Mori, S, Arakawa, Y, Shibayama, K. | | Deposit date: | 2012-04-02 | | Release date: | 2013-02-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Insights into the Subclass B3 Metallo-beta-Lactamase SMB-1 and the Mode of Inhibition by the Common Metallo- -Lactamase Inhibitor Mercaptoacetate
Antimicrob.Agents Chemother., 57, 2013
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4TQQ
 | | Photosynthetic Reaction Center from R. sphaeroides Analyzed at Room Temperature on an X-ray Transparent Microfluidic Chip | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ... | | Authors: | Schieferstein, J.M, Khvostichenko, D.S, Pawate, A.S, Kenis, P.J.A. | | Deposit date: | 2014-06-11 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.499 Å) | | Cite: | X-ray Transparent Microfluidic Chip for Mesophase-Based Crystallization of Membrane Proteins and On-Chip Structure Determination.
Cryst.Growth Des., 14, 2014
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4Y39
 | | Endothiapepsin in complex with fragment 75 | | Descriptor: | 1,2-ETHANEDIOL, 4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide, ACETATE ION, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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4Y3M
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4Y41
 | | Endothiapepsin in complex with fragment 112 | | Descriptor: | (2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2015-02-10 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.403 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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4Y4T
 | | Endothiapepsin in complex with fragment 114 | | Descriptor: | 1,2-ETHANEDIOL, 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile, ACETATE ION, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2015-02-11 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.301 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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4Y3Q
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4Y3F
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4Y5L
 | | Endothiapepsin in its apo form | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2015-02-11 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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4Y4W
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4Y50
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8BWC
 | | E. coli BAM complex (BamABCDE) wild-type | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Machin, J.M, Radford, S.E, Ranson, N.A. | | Deposit date: | 2022-12-06 | | Release date: | 2023-05-24 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Darobactin B Stabilises a Lateral-Closed Conformation of the BAM Complex in E. coli Cells.
Angew.Chem.Int.Ed.Engl., 62, 2023
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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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4Y4Z
 | | Endothiapepsin in complex with fragment 73 | | Descriptor: | (1Z)-N,N-diethylethanimidamide, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2015-02-11 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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7ZKP
 | | Late assembly intermediate of the proximal proton pumping module of complex I with assembly factors NDUFAF1 and CIA84 | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CARDIOLIPIN, ... | | Authors: | Schiller, J, Laube, E, Vonck, J, Zickermann, V. | | Deposit date: | 2022-04-13 | | Release date: | 2022-11-23 | | Last modified: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Insights into complex I assembly: Function of NDUFAF1 and a link with cardiolipin remodeling.
Sci Adv, 8, 2022
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8DSO
 | | Structure of cIAP1, BTK and 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 bound form, Baculoviral IAP repeat-containing protein 2, Tyrosine-protein kinase BTK, ... | | 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 (2.334 Å) | | Cite: | A covalent BTK ternary complex compatible with targeted protein degradation.
Nat Commun, 14, 2023
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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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7ZKQ
 | | Early Pp module assembly intermediate of complex I | | Descriptor: | CARDIOLIPIN, Complex I intermediate-associated protein 30-domain-containing protein, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Schiller, J, Laube, E, Vonck, J, Zickermann, V. | | Deposit date: | 2022-04-13 | | Release date: | 2022-11-23 | | Last modified: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Insights into complex I assembly: Function of NDUFAF1 and a link with cardiolipin remodeling.
Sci Adv, 8, 2022
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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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