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2OX4
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BU of 2ox4 by Molmil
Crystal structure of putative dehydratase from Zymomonas mobilis ZM4
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Patskovsky, Y, Toro, R, Sauder, J.M, Freeman, J.C, Bain, K, Gheyi, T, Wasserman, S.R, Smith, D, Gerlt, J, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-02-19
Release date:2007-03-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Putative Dehydratase from Zymomonas Mobilis Zm4
To be Published
7LM2
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BU of 7lm2 by Molmil
HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 3C
Descriptor: 1,2-ETHANEDIOL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ...
Authors:Lesburg, C.A, Augustin, M.
Deposit date:2021-02-05
Release date:2021-04-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Projected Dose Optimization of Amino- and Hydroxypyrrolidine Purine PI3K delta Immunomodulators.
J.Med.Chem., 64, 2021
2OZ3
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BU of 2oz3 by Molmil
Crystal structure of L-Rhamnonate dehydratase from Azotobacter vinelandii
Descriptor: GLYCEROL, Mandelate racemase/muconate lactonizing enzyme, SODIUM ION
Authors:Patskovsky, Y, Toro, R, Sauder, J.M, Freeman, J.C, Bain, K, Gheyi, T, Wu, B, Wasserman, S.R, Smith, D, Gerlt, J, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-02-23
Release date:2007-03-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of L-Rhamnonate dehydratase from azotobacter vinelandii
To be Published
7RE3
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BU of 7re3 by Molmil
SARS-CoV-2 replication-transcription complex bound to nsp13 helicase - nsp13(2)-RTC dimer
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, CHAPSO, ...
Authors:Chen, J, Malone, B, Campbell, E.A, Darst, S.A.
Deposit date:2021-07-12
Release date:2021-11-24
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Ensemble cryo-EM reveals conformational states of the nsp13 helicase in the SARS-CoV-2 helicase replication-transcription complex.
Nat.Struct.Mol.Biol., 29, 2022
8QZ2
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BU of 8qz2 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an inhibitory nanobody (Nb61)
Descriptor: Nanobody 61, POTASSIUM ION, Potassium channel subfamily K member 10
Authors:Baronina, A, Pike, A.C.W, Rodstrom, K.E.J, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2023-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
8QE8
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BU of 8qe8 by Molmil
Structure of the non-canonical CTLH E3 substrate receptor WDR26 bound to NMNAT1 substrate
Descriptor: BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1, WD repeat-containing protein 26, ...
Authors:Chrustowicz, J, Sherpa, D, Schulman, B.A.
Deposit date:2023-08-30
Release date:2024-05-15
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Non-canonical substrate recognition by the human WDR26-CTLH E3 ligase regulates prodrug metabolism.
Mol.Cell, 84, 2024
7BKF
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BU of 7bkf by Molmil
Crystal structure of WT BA3943, a CE4 family pseudoenzyme from Bacillus Anthracis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative polysaccharide deacetylase, SULFATE ION
Authors:Molfetas, A, Kokkinidis, M.
Deposit date:2021-01-15
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.139 Å)
Cite:The resurrection of a dead enzyme
To Be Published
2P1M
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BU of 2p1m by Molmil
TIR1-ASK1 complex structure
Descriptor: INOSITOL HEXAKISPHOSPHATE, SKP1-like protein 1A, TRANSPORT INHIBITOR RESPONSE 1 protein
Authors:Tan, X, Calderon-Villalobos, L.I.A, Sharon, M, Robinson, C.V, Estelle, M, Zheng, N.
Deposit date:2007-03-05
Release date:2007-04-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of auxin perception by the TIR1 ubiquitin ligase
Nature, 446, 2007
8RCV
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BU of 8rcv by Molmil
Crystal structure of HLA B*13:01 in complex with SVLNDIFSRL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen B alpha chain, ...
Authors:Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S.
Deposit date:2023-12-07
Release date:2024-05-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific.
Curr Res Struct Biol, 7, 2024
5MC3
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BU of 5mc3 by Molmil
Crystal Structure of Glu412Lys mutant of Human Prolidase with Mn ions and GlyPro ligand
Descriptor: GLYCEROL, GLYCINE, HYDROXIDE ION, ...
Authors:Wilk, P, Mueller, U, Dobbek, H, Weiss, M.S.
Deposit date:2016-11-09
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural basis for prolidase deficiency disease mechanisms.
FEBS J., 285, 2018
7RD1
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BU of 7rd1 by Molmil
The Capsid Structure of the ChAdOx1 viral vector/chimpanzee adenovirus Y25
Descriptor: Hexon protein, Hexon-interlacing protein, Penton protein, ...
Authors:Baker, A.T, Boyd, R.J, Sarkar, D, Vermaas, J.V, Williams, D, Singharoy, A.
Deposit date:2021-07-08
Release date:2021-12-15
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:ChAdOx1 interacts with CAR and PF4 with implications for thrombosis with thrombocytopenia syndrome.
Sci Adv, 7, 2021
8QZ1
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BU of 8qz1 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with a nanobody (Nb58)
Descriptor: Isoform B of Potassium channel subfamily K member 10, Nanobody 58, POTASSIUM ION
Authors:Rodstrom, K.E.J, Pike, A.C.W, Baronina, A, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2023-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.588 Å)
Cite:Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
3AM8
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BU of 3am8 by Molmil
Crystal Structure of a Human Major Histocompatibilty complex
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ...
Authors:Chacko, J, Clements, C, Rossjohn, J.
Deposit date:2010-08-18
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of a Human Major Histocompatibility complex
To be Published
5M98
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BU of 5m98 by Molmil
Crystal structure of urate oxidase from zebrafish
Descriptor: Uricase
Authors:Zanotti, G, Cendron, l, Percudani, R, Berni, R.
Deposit date:2016-11-01
Release date:2016-12-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Catalysis and Structure of Zebrafish Urate Oxidase Provide Insights into the Origin of Hyperuricemia in Hominoids.
Sci Rep, 6, 2016
3JX0
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BU of 3jx0 by Molmil
Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with N1-{(3'S,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
Authors:Delker, S.L, Li, H, Poulos, T.L.
Deposit date:2009-09-18
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
3ANP
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BU of 3anp by Molmil
Crystal structure of Thermus thermophilus FadR, a TetR familly transcriptional repressor, in complex with lauroyl-CoA.
Descriptor: DODECYL-COA, LAURIC ACID, Transcriptional repressor, ...
Authors:Agari, Y, Agari, K, Sakamoto, K, Kuramitsu, S, Shinkai, A.
Deposit date:2010-09-06
Release date:2011-03-09
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:TetR-family transcriptional repressor Thermus thermophilus FadR controls fatty acid degradation.
Microbiology, 157, 2011
5M9W
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BU of 5m9w by Molmil
Experimental MAD phased structure of thermolysin in complex with inhibitor JC65.
Descriptor: (2~{S})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Krimmer, S.G, Cramer, J, Heine, A, Klebe, G.
Deposit date:2016-11-02
Release date:2017-08-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:How Nothing Boosts Affinity: Hydrophobic Ligand Binding to the Virtually Vacated S1' Pocket of Thermolysin.
J. Am. Chem. Soc., 139, 2017
3AOC
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BU of 3aoc by Molmil
Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket
Descriptor: Acriflavine resistance protein B, ERYTHROMYCIN A
Authors:Nakashima, R, Sakurai, K, Yamaguchi, A.
Deposit date:2010-09-23
Release date:2011-11-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Structures of the multidrug exporter AcrB reveal a proximal multisite drug-binding pocket
Nature, 480, 2011
5MAC
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BU of 5mac by Molmil
Crystal structure of decameric Methanococcoides burtonii Rubisco complexed with 2-carboxyarabinitol bisphosphate
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Gunn, L.H, Valegard, K, Andersson, I.
Deposit date:2016-11-03
Release date:2017-02-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A unique structural domain in Methanococcoides burtonii ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) acts as a small subunit mimic.
J. Biol. Chem., 292, 2017
8QZ3
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BU of 8qz3 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an activatory nanobody (Nb67)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Nanobody 67, POTASSIUM ION, ...
Authors:Baronina, A, Pike, A.C.W, Rodstrom, K.E.J, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2023-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
7BBM
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BU of 7bbm by Molmil
Mutant nitrobindin M75L/H76L/Q96C/M148L (NB4H) from Arabidopsis thaliana with cofactor MnPPIX
Descriptor: 1,2-ETHANEDIOL, MANGANESE PROTOPORPHYRIN IX, UPF0678 fatty acid-binding protein-like protein At1g79260
Authors:Minges, A, Sauer, D.F, Wittwer, M, Markel, U, Spiertz, M, Schiffels, J, Davari, M.D, Okuda, J, Schwaneberg, U, Groth, G.
Deposit date:2020-12-18
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Chemogenetic engineering of nitrobindin toward an artificial epoxygenase
Catalysis Science And Technology, 2021
3AOU
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BU of 3aou by Molmil
Structure of the Na+ unbound rotor ring modified with N,N f-Dicyclohexylcarbodiimide of the Na+-transporting V-ATPase
Descriptor: DICYCLOHEXYLUREA, UNDECYL-MALTOSIDE, V-type sodium ATPase subunit K
Authors:Mizutani, K, Yamamoto, M, Yamato, I, Kakinuma, Y, Shirouzu, M, Yokoyama, S, Iwata, S, Murata, T.
Deposit date:2010-10-06
Release date:2011-08-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Structure of the rotor ring modified with N,N'-dicyclohexylcarbodiimide of the Na+-transporting vacuolar ATPase.
Proc.Natl.Acad.Sci.USA, 108, 2011
5MB5
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BU of 5mb5 by Molmil
Cocktail experiment C: fragments 103 and 171 in complex with Endothiapepsin
Descriptor: 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Comparison of cocktails versus single soaking experiments
To Be Published
5MBM
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BU of 5mbm by Molmil
Cathepsin B in complex with DARPin 8h6
Descriptor: Cathepsin B, DARPin 8h6
Authors:Turk, D, Kramer, L, Renko, M, Turk, B.
Deposit date:2016-11-08
Release date:2017-12-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Cathepsin B in complex with DARPin 8h6
To Be Published
3HUP
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BU of 3hup by Molmil
High-resolution structure of the extracellular domain of human CD69
Descriptor: CHLORIDE ION, Early activation antigen CD69, SODIUM ION
Authors:Kolenko, P, Dohnalek, J, Skalova, T, Hasek, J, Duskova, J, Vanek, O, Bezouska, K.
Deposit date:2009-06-15
Release date:2009-12-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.371 Å)
Cite:The high-resolution structure of the extracellular domain of human CD69 using a novel polymer
Acta Crystallogr.,Sect.F, 65, 2009

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