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2P8B
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BU of 2p8b by Molmil
Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579 complexed with N-succinyl Lys.
Descriptor: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein, N-SUCCINYL LYSINE
Authors:Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C.
Deposit date:2007-03-22
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Prediction and assignment of function for a divergent N-succinyl amino acid racemase.
Nat.Chem.Biol., 3, 2007
4GDL
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BU of 4gdl by Molmil
Crystal Structure of Human Atg12~Atg5 Conjugate in Complex with an N-terminal Fragment of Atg16L1
Descriptor: Autophagy protein 5, Autophagy-related protein 16-1, SODIUM ION, ...
Authors:Otomo, C, Metlagel, Z, Takaesu, G, Otomo, T.
Deposit date:2012-07-31
Release date:2012-12-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.875 Å)
Cite:Structure of the human ATG12~ATG5 conjugate required for LC3 lipidation in autophagy.
Nat.Struct.Mol.Biol., 20, 2013
7QYS
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BU of 7qys by Molmil
Crystal structure of RimK from Pseudomonas syringae DC3000
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Probable alpha-L-glutamate ligase
Authors:Thompson, C.M.A, Little, R.H, Stevenson, C.E.M, Lawson, D.M, Malone, J.G.
Deposit date:2022-01-29
Release date:2022-10-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insights into the mechanism of adaptive ribosomal modification by Pseudomonas RimK.
Proteins, 91, 2023
8VOU
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BU of 8vou by Molmil
Human glutathione transferase M1-1 in complex with the adduct between glutathione and nitrooleic acid
Descriptor: GLUTATHIONE, Glutathione S-transferase Mu 1, L-gamma-glutamyl-S-[(8R,9S)-1-carboxy-9-nitroheptadecan-8-yl]-L-cysteinylglycine
Authors:Larrieux, N, Steglich, M, Dalla Rizza, J, Buschiazzo, A, Turell, L.
Deposit date:2024-01-16
Release date:2025-03-12
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Human glutathione transferases catalyze the reaction between glutathione and nitrooleic acid.
J.Biol.Chem., 301, 2025
1PE1
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BU of 1pe1 by Molmil
Aquifex aeolicus KDO8PS in complex with cadmium and 2-PGA
Descriptor: 2-PHOSPHOGLYCERIC ACID, 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, ...
Authors:Wang, J, Xu, X, Grison, C, Petek, S, Coutrot, P, Birck, M.R, Woodard, R.W, Gatti, D.L.
Deposit date:2003-05-20
Release date:2004-02-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structure-Based Design of Novel Inhibitors of 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase
DRUG DES.DISCOVERY, 18, 2003
5UKQ
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BU of 5ukq by Molmil
Structure of unliganded anti-gp120 CD4bs antibody DH522.2 Fab
Descriptor: DH522.2 Fab fragment heavy chain, DH522.2 Fab fragment light chain, GLYCEROL
Authors:Nicely, N.I.
Deposit date:2017-01-23
Release date:2017-12-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Initiation of HIV neutralizing B cell lineages with sequential envelope immunizations.
Nat Commun, 8, 2017
8TTR
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BU of 8ttr by Molmil
CA9 mimic bound to SH7
Descriptor: 4-{5-phenyl-4-[(4-sulfamoylphenyl)carbamamido]-1H-pyrazol-1-yl}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Peat, T.S.
Deposit date:2023-08-14
Release date:2024-11-27
Last modified:2024-12-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:4-(Pyrazolyl)benzenesulfonamide Ureas as Carbonic Anhydrases Inhibitors and Hypoxia-Mediated Chemo-Sensitizing Agents in Colorectal Cancer Cells.
J.Med.Chem., 67, 2024
5URC
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BU of 5urc by Molmil
Design, Synthesis, Functional and Biological Evaluation of Ether and Ester Derivatives of the Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease
Descriptor: (5-formylfuran-2-yl)methyl acetate, 5-HYDROXYMETHYL-FURFURAL, CARBON MONOXIDE, ...
Authors:Pagare, P.P, Safo, R.S, Gazi, A.
Deposit date:2017-02-10
Release date:2017-03-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design, Synthesis, and Biological Evaluation of Ester and Ether Derivatives of Antisickling Agent 5-HMF for the Treatment of Sickle Cell Disease.
Mol. Pharm., 14, 2017
1FHE
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BU of 1fhe by Molmil
GLUTATHIONE TRANSFERASE (FH47) FROM FASCIOLA HEPATICA
Descriptor: GLUTATHIONE, GLUTATHIONE TRANSFERASE
Authors:Rossjohn, J, Parker, M.W.
Deposit date:1997-07-24
Release date:1998-07-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallization, structural determination and analysis of a novel parasite vaccine candidate: Fasciola hepatica glutathione S-transferase.
J.Mol.Biol., 273, 1997
6NXA
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BU of 6nxa by Molmil
ECAII(D90T,K162T) MUTANT AT PH 7
Descriptor: ACETIC ACID, GLYCEROL, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
1SQD
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BU of 1sqd by Molmil
Structural basis for inhibitor selectivity revealed by crystal structures of plant and mammalian 4-hydroxyphenylpyruvate dioxygenases
Descriptor: 4-hydroxyphenylpyruvate dioxygenase, FE (III) ION
Authors:Yang, C, Pflugrath, J.W, Camper, D.L, Foster, M.L, Pernich, D.J, Walsh, T.A.
Deposit date:2004-03-18
Release date:2004-08-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for herbicidal inhibitor selectivity revealed by comparison of crystal structures of plant and Mammalian 4-hydroxyphenylpyruvate dioxygenases
Biochemistry, 43, 2004
1SQI
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BU of 1sqi by Molmil
Structural basis for inhibitor selectivity revealed by crystal structures of plant and mammalian 4-hydroxyphenylpyruvate dioxygenases
Descriptor: (1-TERT-BUTYL-5-HYDROXY-1H-PYRAZOL-4-YL)[6-(METHYLSULFONYL)-4'-METHOXY-2-METHYL-1,1'-BIPHENYL-3-YL]METHANONE, 4-hydroxyphenylpyruvic acid dioxygenase, FE (III) ION
Authors:Yang, C, Pflugrath, J.W, Camper, D.L, Foster, M.L, Pernich, D.J, Walsh, T.A.
Deposit date:2004-03-18
Release date:2004-08-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for herbicidal inhibitor selectivity revealed by comparison of crystal structures of plant and Mammalian 4-hydroxyphenylpyruvate dioxygenases
Biochemistry, 43, 2004
7MYF
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BU of 7myf by Molmil
Ubiquitin variant UbV.k.1 in complex with Ube2k
Descriptor: Ubiquitin, Ubiquitin variant UbV.k.1, Ubiquitin-conjugating enzyme E2 K
Authors:Middleton, A.J, Day, C.L, Teyra, J, Sidhu, S.S.
Deposit date:2021-05-21
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of Ubiquitin Variants That Inhibit the E2 Ubiquitin Conjugating Enzyme, Ube2k.
Acs Chem.Biol., 16, 2021
7MYH
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BU of 7myh by Molmil
Ubiquitin variant UbV.k.2 in complex with Ube2k
Descriptor: GLYCEROL, Ubiquitin variant UbV.k.2, Ubiquitin-conjugating enzyme E2 K
Authors:Middleton, A.J, Day, C.L, Teyra, J, Sidhu, S.S.
Deposit date:2021-05-21
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Identification of Ubiquitin Variants That Inhibit the E2 Ubiquitin Conjugating Enzyme, Ube2k.
Acs Chem.Biol., 16, 2021
6NX8
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BU of 6nx8 by Molmil
ECAII(D90T,K162T) MUTANT IN COMPLEX WITH CITRATE AT PH 6.2
Descriptor: ACETIC ACID, CITRIC ACID, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
3G1M
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BU of 3g1m by Molmil
EthR from Mycobacterium tuberculosis in complex with compound BDM31381
Descriptor: 1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine, TRANSCRIPTIONAL REGULATORY REPRESSOR PROTEIN (TETR-FAMILY) ETHR
Authors:Willand, N, Dirie, B, Carette, X, Bifani, P, Singhal, A, Desroses, M, Leroux, F, Willery, E, Mathys, V, Deprez-Poulain, R, Delcroix, G, Frenois, F, Aumercier, M, Locht, C, Villeret, V, Deprez, B, Baulard, A.R.
Deposit date:2009-01-30
Release date:2009-07-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Synthetic EthR inhibitors boost antituberculous activity of ethionamide.
Nat.Med. (N.Y.), 15, 2009
5VMD
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BU of 5vmd by Molmil
Crystal structure of UBR-box from UBR6 in a domain-swapping conformation
Descriptor: 1,2-ETHANEDIOL, F-box only protein 11, ZINC ION
Authors:Munoz-Escobar, J, Kozlov, G, Gehring, K.
Deposit date:2017-04-27
Release date:2017-07-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Crystal structure of the UBR-box from UBR6/FBXO11 reveals domain swapping mediated by zinc binding.
Protein Sci., 26, 2017
2YER
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BU of 2yer by Molmil
Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors
Descriptor: 1,2-ETHANEDIOL, 5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
Authors:Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A, Otterbein, L.
Deposit date:2011-03-30
Release date:2012-03-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
5N8H
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BU of 5n8h by Molmil
Serial Cu nitrite reductase structures at elevated cryogenic temperature, 240K. Dataset 3.
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION
Authors:Horrell, S, Kekilli, D, Hough, M, Strange, R.
Deposit date:2017-02-23
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase.
IUCrJ, 4, 2017
8TYO
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BU of 8tyo by Molmil
Structural and biochemical rationale for Beta variant protein booster vaccine broad cross-neutralization of SARS-CoV-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Bruch, E.M, Rak, A.
Deposit date:2023-08-25
Release date:2024-02-07
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Structural and biochemical rationale for Beta variant protein booster vaccine broad cross-neutralization of SARS-CoV-2.
Sci Rep, 14, 2024
8TYL
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BU of 8tyl by Molmil
Structural and biochemical rationale for Beta variant protein booster vaccine broad cross-neutralization of SARS-CoV-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Bruch, E.M, Rak, A.
Deposit date:2023-08-25
Release date:2024-02-07
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural and biochemical rationale for Beta variant protein booster vaccine broad cross-neutralization of SARS-CoV-2.
Sci Rep, 14, 2024
8ZNG
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BU of 8zng by Molmil
Cryo-EM structure of W89F mutated Glutamate dehydrogenase from Thermococcus profundus in complex with NADPH and AKG in the steady stage of reaction
Descriptor: 2-OXOGLUTARIC ACID, Glutamate dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wakabayashi, T, Nakasako, M.
Deposit date:2024-05-26
Release date:2024-06-12
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:CryoEM and crystal structure analyses reveal the indirect role played by Trp89 in glutamate dehydrogenase enzymatic reactions.
Febs J., 292, 2025
8ZNC
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BU of 8znc by Molmil
Cryo-EM structure of W89F mutated Glutamate dehydrogenase from Thermococcus profundus incorporating NADPH, AKG in the steady stage of reaction
Descriptor: 2-OXOGLUTARIC ACID, AMMONIUM ION, Glutamate dehydrogenase, ...
Authors:Wakabayashi, T, Nakasako, M.
Deposit date:2024-05-26
Release date:2024-06-12
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:CryoEM and crystal structure analyses reveal the indirect role played by Trp89 in glutamate dehydrogenase enzymatic reactions.
Febs J., 292, 2025
8ZNE
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BU of 8zne by Molmil
Cryo-EM structure of W89F mutated Glutamate dehydrogenase from Thermococcus profundus in complex with NADP and GLU in the steady stage of reaction
Descriptor: GLUTAMIC ACID, Glutamate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wakabayashi, T, Nakasako, M.
Deposit date:2024-05-26
Release date:2024-06-26
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:CryoEM and crystal structure analyses reveal the indirect role played by Trp89 in glutamate dehydrogenase enzymatic reactions.
Febs J., 292, 2025
1SWI
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BU of 1swi by Molmil
GCN4-LEUCINE ZIPPER CORE MUTANT AS N16A COMPLEXED WITH BENZENE
Descriptor: BENZENE, GCN4P1
Authors:Gonzalez, L, Plecs, J, Alber, T.
Deposit date:1996-05-09
Release date:1996-11-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An engineered allosteric switch in leucine-zipper oligomerization.
Nat.Struct.Biol., 3, 1996

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