3C2Q
 
 | | Crystal structure of conserved putative LOR/SDH protein from Methanococcus maripaludis S2 | | Descriptor: | IMIDAZOLE, NICKEL (II) ION, Uncharacterized conserved protein | | Authors: | Duke, N, Gu, M, Mulligan, R, Conrad, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-01-25 | | Release date: | 2008-02-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of conserved putative LOR/SDH protein from Methanococcus maripaludis S2
To be Published
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4NNW
 | | yCP in complex with Z-Leu-Leu-Leu-ketoaldehyde | | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2R,3S)-1,2-dihydroxy-5-methylhexan-3-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ... | | Authors: | Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. | | Deposit date: | 2013-11-19 | | Release date: | 2014-02-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
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1NND
 | | Arginine 116 is Essential for Nucleic Acid Recognition by the Fingers Domain of Moloney Murine Leukemia Virus Reverse Transcriptase | | Descriptor: | Reverse Transcriptase | | Authors: | Crowther, R.L, Remeta, D.P, Minetti, C.A, Das, D, Montano, S.P, Georgiadis, M.M. | | Deposit date: | 2003-01-13 | | Release date: | 2004-01-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and energetic characterization of nucleic acid-binding to the fingers domain of Moloney murine leukemia virus reverse transcriptase
Proteins, 57, 2004
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7AMP
 | | Crystal structure of the complex of HuJovi-1 Fab with the human A6 T-cell receptor TRBC1 | | Descriptor: | Alpha chain of A6 T-cell receptor, Beta chain 1 of A6 T-cell receptor TRBC1, CHLORIDE ION, ... | | Authors: | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | | Deposit date: | 2020-10-09 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
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1B7U
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7AMQ
 | | Crystal structure of the complex of HuJovi-1 Fab with the human TRBC2 | | Descriptor: | CHLORIDE ION, GLYCEROL, Human A6 T-cell receptor alpha chain, ... | | Authors: | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | | Deposit date: | 2020-10-09 | | Release date: | 2022-04-20 | | Last modified: | 2022-04-27 | | Method: | X-RAY DIFFRACTION (2.353 Å) | | Cite: | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
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6N0T
 | | tRNA ligase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Banerjee, A, Goldgur, Y, Shuman, S. | | Deposit date: | 2018-11-07 | | Release date: | 2019-01-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.511 Å) | | Cite: | Structure and two-metal mechanism of fungal tRNA ligase.
Nucleic Acids Res., 47, 2019
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7AN8
 | | Enzyme of biosynthetic pathway | | Descriptor: | 3-[(1-Carboxyvinyl)oxy]benzoic acid, Chorismate dehydratase, GLYCEROL | | Authors: | Archna, A, Breithaupt, C, Stubbs, M.T. | | Deposit date: | 2020-10-11 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis
J.Biol.Chem., 2022
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5QJH
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z375990520 | | Descriptor: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... | | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | | Deposit date: | 2018-10-31 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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5QJW
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z198194396 | | Descriptor: | 1,2-ETHANEDIOL, 4-(furan-2-carbonyl)piperazine-1-carboxamide, ADP-sugar pyrophosphatase, ... | | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | | Deposit date: | 2018-10-31 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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5K0C
 | | Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole | | Descriptor: | 1,2-ETHANEDIOL, 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | | Deposit date: | 2016-05-17 | | Release date: | 2016-09-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
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3SH1
 | | Ac-AChBP ligand binding domain mutated to human alpha-7 nAChR | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nemecz, A, Taylor, P.W. | | Deposit date: | 2011-06-15 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Creating an alpha-7 nicotinic acetylcholine recognition domain from the
acetylcholine binding protein: crystallographic and ligand selectivity analyses
J.Biol.Chem., 286, 2011
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4NUD
 | | Crystal structure of the first bromodomain of human BRD4 in complex with MS436 inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide, Bromodomain-containing protein 4 | | Authors: | Plotnikov, A.N, Joshua, J, Zhou, M.-M. | | Deposit date: | 2013-12-03 | | Release date: | 2014-04-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure-Guided Design of Potent Diazobenzene Inhibitors for the BET Bromodomains
J.Med.Chem., 56, 2013
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7RTP
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1NXH
 | | X-RAY STRUCTURE: NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET TT87 | | Descriptor: | MTH396 protein | | Authors: | Khayat, R, Savchenko, A, Edwards, A, Arowsmith, C, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-02-10 | | Release date: | 2004-02-24 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-RAY STRUCTURE OF MTH396
To be Published
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5LFD
 | | Crystal structure of allantoin racemase from Pseudomonas fluorescens AllR | | Descriptor: | Allantoin racemase | | Authors: | Cendron, l, Zanotti, G, Percudani, R, Ramazzina, I, Puggioni, V, Maccacaro, E, Liuzzi, A, Secchi, A. | | Deposit date: | 2016-07-01 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The Structure and Function of a Microbial Allantoin Racemase Reveal the Origin and Conservation of a Catalytic Mechanism.
Biochemistry, 55, 2016
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5QJC
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z755044716 | | Descriptor: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... | | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | | Deposit date: | 2018-10-31 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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7AMR
 | | Crystal structure of the complex of the KFN mutant of Jovi-1 Fab with human TRBC1 | | Descriptor: | CHLORIDE ION, GLYCEROL, Human Jovi-1 Fab fragment, ... | | Authors: | Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M. | | Deposit date: | 2020-10-09 | | Release date: | 2022-04-20 | | Last modified: | 2022-04-27 | | Method: | X-RAY DIFFRACTION (1.949 Å) | | Cite: | Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
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8P5U
 | | Single particle cryo-EM structure of homohexameric 2-oxoglutarate dehydrogenase OdhA from Corynebacterium glutamicum with Coenzyme A bound to the E2o domain | | Descriptor: | 2-oxoglutarate dehydrogenase E1/E2 component, ACETYL COENZYME *A, COENZYME A, ... | | Authors: | Yang, L, Mechaly, A.M, Bellinzoni, M. | | Deposit date: | 2023-05-24 | | Release date: | 2023-08-16 | | Last modified: | 2023-08-23 | | Method: | ELECTRON MICROSCOPY (2.17 Å) | | Cite: | High resolution cryo-EM and crystallographic snapshots of the actinobacterial two-in-one 2-oxoglutarate dehydrogenase.
Nat Commun, 14, 2023
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3SGE
 | | Crystal structure of mAb 17.2 in complex with R13 peptide | | Descriptor: | CALCIUM ION, Heavy Chain, Light Chain, ... | | Authors: | Pizarro, J.C, Boulot, G, Hontebeyrie, M, Bentley, G.A. | | Deposit date: | 2011-06-14 | | Release date: | 2011-11-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structure of the complex mAb 17.2 and the C-terminal region of Trypanosoma cruzi P2 Beta protein: implications in cross-reactivity
Plos Negl Trop Dis, 5, 2011
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6FSD
 | | Mus musculus acetylcholinesterase in complex with 2-(4-Biphenylyloxy)-N-[3-(1-piperidinyl)propyl]-acetamide hydrochloride (10) | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide, ... | | Authors: | Knutsson, S, Engdahl, C, Kumari, R, Kindahl, T, Forsgren, N, Lindgren, C, Kitur, S, Kamau, L, Ekstrom, F, Linusson, A. | | Deposit date: | 2018-02-19 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency.
J.Med.Chem., 61, 2018
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6FT2
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7LQX
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5K4W
 | | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NADH and L-threonine refined to 1.72 angstroms | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-threonine 3-dehydrogenase, ... | | Authors: | Adjogatse, E.A, Erskine, P.T, Cooper, J.B. | | Deposit date: | 2016-05-22 | | Release date: | 2018-01-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
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8ORM
 | | Cryo-EM structure of CAK-THZ1 | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | Deposit date: | 2023-04-14 | | Release date: | 2023-08-30 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (1.9 Å) | | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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