4M1C
 
 | | Crystal Structure Analysis of Fab-Bound Human Insulin Degrading Enzyme (IDE) in Complex with Amyloid-Beta (1-40) | | Descriptor: | Amyloid beta A4 protein, Fab-bound IDE, heavy chain, ... | | Authors: | McCord, L.M, Liang, W, Farcasanu, M, Scherpelz, K, Meredith, S.C, Koide, S, Tang, W.J. | | Deposit date: | 2013-08-02 | | Release date: | 2014-08-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.5007 Å) | | Cite: | Crystal Structure Analysis of Fab-Bound Human Insulin Degrading Enzyme (IDE) in Complex with Amyloid-Beta (1-40)
To be Published
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8D7F
 | | FlvF from Aspergillus flavus in complex with Bis-Tris | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Terpene cyclase flvF | | Authors: | Tararina, M.A, Christianson, D.W. | | Deposit date: | 2022-06-07 | | Release date: | 2022-09-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structure of the Repurposed Fungal Terpene Cyclase FlvF Implicated in the C-N Bond-Forming Reaction of Flavunoidine Biosynthesis.
Biochemistry, 61, 2022
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7NTG
 | | Bdellovibrio bacteriovorus PGI in complex with fructose-6-phosphate | | Descriptor: | 1,2-ETHANEDIOL, FRUCTOSE -6-PHOSPHATE, Glucose-6-phosphate isomerase | | Authors: | Meek, R.W, Lovering, A.L. | | Deposit date: | 2021-03-09 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Bdellovibrio bacteriovorus phosphoglucose isomerase structures reveal novel rigidity in the active site of a selected subset of enzymes upon substrate binding.
Open Biology, 11, 2021
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7NSS
 | | Bdellovibrio bacteriovorus PGI in P3121 spacegroup | | Descriptor: | 1,2-ETHANEDIOL, Glucose-6-phosphate isomerase | | Authors: | Meek, R.W, Lovering, A.L. | | Deposit date: | 2021-03-08 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Bdellovibrio bacteriovorus phosphoglucose isomerase structures reveal novel rigidity in the active site of a selected subset of enzymes upon substrate binding.
Open Biology, 11, 2021
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3S0M
 | | A Structural Element that Modulates Proton-Coupled Electron Transfer in Oxalate Decarboxylase | | Descriptor: | 1,2-ETHANEDIOL, CARBONATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Saylor, B.T, Reinhardt, L.A, Lu, Z, Shukla, M.S, Cleland, W.W, Allen, K.N, Richards, N.G.J. | | Deposit date: | 2011-05-13 | | Release date: | 2012-04-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | A structural element that facilitates proton-coupled electron transfer in oxalate decarboxylase.
Biochemistry, 51, 2012
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8DGY
 | | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 16d (high resolution) | | Descriptor: | 3C-like proteinase, [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | | Authors: | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-06-24 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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6F0K
 | | Alternative complex III | | Descriptor: | ActD, ActF, ActH, ... | | Authors: | Sousa, J.S, Calisto, F, Mills, D.J, Pereira, M.M, Vonck, J, Kuehlbrandt, W. | | Deposit date: | 2017-11-20 | | Release date: | 2018-05-09 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.87 Å) | | Cite: | Structural basis for energy transduction by respiratory alternative complex III.
Nat Commun, 9, 2018
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4Q33
 | | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and A110 | | Descriptor: | 4-[(1R)-1-[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]ethoxy]-1-oxidanyl-quinoline, ACETIC ACID, FORMIC ACID, ... | | Authors: | Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Gu, M, Zhang, M, Mandapati, K, Gollapalli, D.R, Gorla, S.K, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-04-10 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.885 Å) | | Cite: | Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and A110
TO BE PUBLISHED
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4Q41
 | | Crystal structure of Schistosoma mansoni arginase in complex with L-lysine | | Descriptor: | Arginase, GLYCEROL, LYSINE, ... | | Authors: | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | | Deposit date: | 2014-04-12 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis.
Biochemistry, 53, 2014
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4KZI
 | | Crystal Structure of TR3 LBD in complex with DPDO | | Descriptor: | 1-(3,5-dimethoxyphenyl)decan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | Li, F, Zhang, Q, Li, A, Tian, X, Cai, Q, Wang, W, Wang, Y, Chen, H, Xing, Y, Wu, Q, Lin, T. | | Deposit date: | 2013-05-30 | | Release date: | 2013-12-18 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
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5YP4
 | | Crystal structure of dipeptidyl peptidase IV (DPP IV) with Lys-Pro from Pseudoxanthomonas mexicana WO24 | | Descriptor: | Dipeptidyl aminopeptidase 4, GLYCEROL, LYSINE, ... | | Authors: | Roppongi, S, Suzuki, Y, Tateoka, C, Fuimoto, M, Morisawa, S, Iizuka, I, Nakamura, A, Honma, N, Shida, Y, Ogasawara, W, Tanaka, N, Sakamoto, Y, Nonaka, T. | | Deposit date: | 2017-11-01 | | Release date: | 2018-02-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of a bacterial dipeptidyl peptidase IV reveal a novel substrate recognition mechanism distinct from that of mammalian orthologues.
Sci Rep, 8, 2018
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4Q9N
 | | Crystal structure of Chlamydia trachomatis enoyl-ACP reductase (FabI) in complex with NADH and AFN-1252 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide | | Authors: | Yao, J, Abdelrahman, Y, Robertson, R.M, Cox, J.V, Belland, R.J, White, S.W, Rock, C.O. | | Deposit date: | 2014-05-01 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.795 Å) | | Cite: | Type II Fatty Acid Synthesis Is Essential for the Replication of Chlamydia trachomatis.
J.Biol.Chem., 289, 2014
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4LFD
 | | Staphylococcus aureus sortase B-substrate complex | | Descriptor: | (CBZ)NPQ(B27) PEPTIDE, SULFATE ION, Sortase B | | Authors: | Jacobitz, A.W, Sawaya, M.R, Yi, S.W, Amer, B.R, Huang, G.L, Nguyen, A.V, Jung, M.E, Clubb, R.T. | | Deposit date: | 2013-06-26 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural and Computational Studies of the Staphylococcus aureus Sortase B-Substrate Complex Reveal a Substrate-stabilized Oxyanion Hole.
J.Biol.Chem., 289, 2014
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5WGK
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5WKT
 | | 3.2-Angstrom In situ Mylar structure of bovine opsin at 100 K | | Descriptor: | Rhodopsin, SULFATE ION, Transducin Galpha peptide, ... | | Authors: | Broecker, J, Morizumi, T, Ou, W.-L, Ernst, O.P. | | Deposit date: | 2017-07-25 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions.
Nat Protoc, 13, 2018
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2ME3
 | | HIV-1 gp41 clade C Membrane Proximal External Region peptide in DPC micelle | | Descriptor: | Envelope glycoprotein gp160 | | Authors: | Sun, Z.J, Wagner, G, Reinherz, E.L, Kim, M, Song, L, Choi, J, Cheng, Y, Chowdhury, B, Bellot, G, Shih, W. | | Deposit date: | 2013-09-20 | | Release date: | 2013-10-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Disruption of Helix-Capping Residues 671 and 674 Reveals a Role in HIV-1 Entry for a Specialized Hinge Segment of the Membrane Proximal External Region of gp41.
J.Mol.Biol., 426, 2014
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2M2R
 | | Solution structure of MCh-2: A novel inhibitor cystine knot peptide from Momordica charantia | | Descriptor: | Inhibitor cystine knot peptide MCh-2 | | Authors: | He, W, Chan, L, Clark, R.J, Tang, J, Zeng, G, Franco, O.L, Cantacessi, C, Craik, D.J, Daly, N.L, Tan, N. | | Deposit date: | 2013-01-01 | | Release date: | 2013-11-06 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Novel Inhibitor Cystine Knot Peptides from Momordica charantia.
Plos One, 8, 2013
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1RZI
 | | Crystal structure of human anti-HIV-1 gp120-reactive antibody 47e fab | | Descriptor: | Fab 47e heavy chain, Fab 47e light chain | | Authors: | Huang, C.C, Venturi, M, Majeed, S, Moore, M.J, Phogat, S, Zhang, M.-Y, Dimitrov, D.S, Hendrickson, W.A, Robinson, J, Sodroski, J, Wyatt, R, Choe, H, Farzan, M, Kwong, P.D. | | Deposit date: | 2003-12-24 | | Release date: | 2004-02-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis of tyrosine sulfation and VH-gene usage in antibodies that recognize the HIV type 1 coreceptor-binding site on gp120
Proc.Natl.Acad.Sci.USA, 101, 2004
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5WSC
 | | Crystal of pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, soaked with allosteric activators AMP and Glucose 6-Phosphate | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | | Deposit date: | 2016-12-06 | | Release date: | 2017-11-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
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4L16
 | | Crystal structure of FIGL-1 AAA domain in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Fidgetin-like protein 1 | | Authors: | Peng, W, Lin, Z, Li, W, Lu, J, Shen, Y, Wang, C. | | Deposit date: | 2013-06-02 | | Release date: | 2013-09-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural insights into the unusually strong ATPase activity of the AAA domain of the Caenorhabditis elegans fidgetin-like 1 (FIGL-1) protein.
J.Biol.Chem., 288, 2013
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2MHK
 | | E. coli LpoA N-terminal domain | | Descriptor: | Penicillin-binding protein activator LpoA | | Authors: | Jean, N.L, Bougault, C, Lodge, A, Derouaux, A, Callens, G, Egan, A, Lewis, R.J, Vollmer, W, Simorre, J. | | Deposit date: | 2013-11-26 | | Release date: | 2014-06-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Elongated Structure of the Outer-Membrane Activator of Peptidoglycan Synthesis LpoA: Implications for PBP1A Stimulation.
Structure, 22, 2014
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8D9N
 | | CryoEM structures of bAE1 captured in multiple states. | | Descriptor: | Anion exchange protein | | Authors: | Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I. | | Deposit date: | 2022-06-10 | | Release date: | 2023-01-25 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations.
Commun Biol, 5, 2022
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5WS9
 | | Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, ATP and allosteric activator AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C. | | Deposit date: | 2016-12-06 | | Release date: | 2017-11-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
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4LF0
 | | The E142D mutant of the amidase from Geobacillus pallidus | | Descriptor: | Aliphatic amidase | | Authors: | Sewell, B.T, Weber, B.W, Kimani, S.W, Cowan, D.A, Hunter, R, Venter, G.A, Gumbart, J.C, Thuku, R.N, Varsani, A. | | Deposit date: | 2013-06-26 | | Release date: | 2013-08-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The mechanism of the amidases: mutating the glutamate adjacent to the catalytic triad inactivates the enzyme due to substrate mispositioning.
J.Biol.Chem., 288, 2013
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6EZP
 | | CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide | | Descriptor: | (3~{S},14~{E})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide, Cathepsin L1, GLYCEROL | | Authors: | Banner, D.W, Benz, J, Kuglstatter, A. | | Deposit date: | 2017-11-16 | | Release date: | 2018-04-11 | | Last modified: | 2018-05-09 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.
J. Med. Chem., 61, 2018
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