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7OSN
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BU of 7osn by Molmil
IRED361 from Micromonospora sp. in complex with NADP+
Descriptor: 6-phosphogluconate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Gilio, A.K, Harawa, V, Turner, N, Grogan, G.J.
Deposit date:2021-06-09
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Synthesis of Stereoenriched Piperidines via Chemo-Enzymatic Dearomatization of Activated Pyridines.
J.Am.Chem.Soc., 144, 2022
1OLC
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BU of 1olc by Molmil
OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH LYS-LYS-LYS-ALA
Descriptor: LYS-LYS-LYS-ALA, OLIGO-PEPTIDE BINDING PROTEIN, URANYL (VI) ION
Authors:Tame, J, Wilkinson, A.J.
Deposit date:1995-09-10
Release date:1996-01-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structures of the oligopeptide-binding protein OppA complexed with tripeptide and tetrapeptide ligands.
Structure, 3, 1995
7PIM
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BU of 7pim by Molmil
Partial structure of tyrosine hydroxylase lacking the first 35 residues in complex with dopamine.
Descriptor: FE (III) ION, L-DOPAMINE, Regulatory domain alpha-helix, ...
Authors:Bueno-Carrasco, M.T, Cuellar, J, Santiago, C, Valpuesta, J.M, Martinez, A, Flydal, M.I.
Deposit date:2021-08-20
Release date:2021-12-22
Last modified:2022-02-02
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural mechanism for tyrosine hydroxylase inhibition by dopamine and reactivation by Ser40 phosphorylation.
Nat Commun, 13, 2022
7Q0N
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BU of 7q0n by Molmil
Arbitrium receptor from Katmira phage
Descriptor: Arbitrium receptor, DNA (45-MER), SULFATE ION
Authors:Gallego del Sol, F, Marina, A.
Deposit date:2021-10-15
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights into the mechanism of action of the arbitrium communication system in SPbeta phages.
Nat Commun, 13, 2022
7PX1
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BU of 7px1 by Molmil
Conotoxin from Conus mucronatus
Descriptor: CADMIUM ION, Conus mucronatus, IODIDE ION
Authors:Mueller, E, Hackney, C.M, Ellgaard, L, Morth, J.P.
Deposit date:2021-10-07
Release date:2022-11-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:A previously unrecognized superfamily of macro-conotoxins includes an inhibitor of the sensory neuron calcium channel Cav2.3.
Plos Biol., 21, 2023
7PX2
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BU of 7px2 by Molmil
Conotoxin Mu8.1 from Conus mucronatus
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Conotoxin Mu8.1
Authors:Mueller, E, Hackney, C, Ellgaard, L, Morth, J.P.
Deposit date:2021-10-07
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:A previously unrecognized superfamily of macro-conotoxins includes an inhibitor of the sensory neuron calcium channel Cav2.3.
Plos Biol., 21, 2023
7QO6
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BU of 7qo6 by Molmil
26S proteasome Rpt1-RK -Ubp6-UbVS complex in the s2 state
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ...
Authors:Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, T.C, Joshi, T, Rudack, T, Sakata, E, Finley, D.
Deposit date:2021-12-23
Release date:2022-03-16
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Allosteric control of Ubp6 and the proteasome via a bidirectional switch.
Nat Commun, 13, 2022
7QO5
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BU of 7qo5 by Molmil
26S proteasome Rpt1-RK -Ubp6-UbVS complex in the si state
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ...
Authors:Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, T.C, Joshi, T, Rudack, T, Sakata, E, Finley, D.
Deposit date:2021-12-23
Release date:2022-03-16
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Allosteric control of Ubp6 and the proteasome via a bidirectional switch.
Nat Commun, 13, 2022
7QO3
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BU of 7qo3 by Molmil
Structure of the 26S proteasome-Ubp6 complex in the si state (Core Particle and Lid)
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ...
Authors:Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, T.C, Joshi, T, Rudack, T, Sakata, E, Finley, D.
Deposit date:2021-12-23
Release date:2022-04-13
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Allosteric control of Ubp6 and the proteasome via a bidirectional switch.
Nat Commun, 13, 2022
5FHO
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BU of 5fho by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-chlorobenzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at 2.3 A resolution
Descriptor: (1S)-1-carboxy-2-(5-{2-[(3-chlorophenyl)methyl]-2H-tetrazol-5-yl}-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)ethan-1-aminium, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Frydenvang, K, Kastrup, J.S.
Deposit date:2015-12-22
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tweaking Subtype Selectivity and Agonist Efficacy at (S)-2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)propionic acid (AMPA) Receptors in a Small Series of BnTetAMPA Analogues.
J.Med.Chem., 59, 2016
5MW2
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BU of 5mw2 by Molmil
CRYSTAL STRUCTURE OF BCL-6 BTB-domain with BI-3802
Descriptor: 2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide, B-cell lymphoma 6 protein
Authors:Bader, G, Flotzinger, G, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2017-01-18
Release date:2017-10-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6.
Cell Rep, 20, 2017
4MPY
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BU of 4mpy by Molmil
1.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus (IDP00699) in complex with NAD+
Descriptor: Betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION
Authors:Halavaty, A.S, Minasov, G, Shuvalova, L, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-14
Release date:2013-10-09
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based mutational studies of substrate inhibition of betaine aldehyde dehydrogenase BetB from Staphylococcus aureus.
Appl.Environ.Microbiol., 80, 2014
5NI3
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BU of 5ni3 by Molmil
sfGFP 204-204 mutant dimer
Descriptor: CHLORIDE ION, GLYCEROL, Green fluorescent protein, ...
Authors:Worthy, H.L, Rizkallah, P.J.
Deposit date:2017-03-23
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Association of Fluorescent Protein Pairs and Its Significant Impact on Fluorescence and Energy Transfer
Adv Sci, 2020
4MPB
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BU of 4mpb by Molmil
1.7 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus
Descriptor: Betaine aldehyde dehydrogenase, CHLORIDE ION, MAGNESIUM ION
Authors:Halavaty, A.S, Shuvalova, L, Minasov, G, Dubrovska, I, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-12
Release date:2013-09-25
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based mutational studies of substrate inhibition of betaine aldehyde dehydrogenase BetB from Staphylococcus aureus.
Appl.Environ.Microbiol., 80, 2014
5NV3
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BU of 5nv3 by Molmil
Structure of Rubisco from Rhodobacter sphaeroides in complex with CABP
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase large chain, ...
Authors:Bracher, A, Milicic, G, Ciniawsky, S, Wendler, P, Hayer-Hartl, M, Hartl, F.U.
Deposit date:2017-05-03
Release date:2017-07-26
Last modified:2017-09-20
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Mechanism of Enzyme Repair by the AAA(+) Chaperone Rubisco Activase.
Mol. Cell, 67, 2017
5OR9
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BU of 5or9 by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 1-methyl-cyclopentapyrazole compound 13
Descriptor: (2~{S})-1-(4-fluorophenyl)sulfonyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Lolli, G, Vedove, A.D, Marchand, J.-R, Caflisch, A.
Deposit date:2017-08-15
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking.
J Chem Inf Model, 57, 2017
5MQE
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BU of 5mqe by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP006
Descriptor: 4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide, CREB-binding protein
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5MQK
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BU of 5mqk by Molmil
Crystal structure of CREBBP bromodomain complexed with CBP019
Descriptor: 1-(1-methylindol-3-yl)ethanone, CREB-binding protein
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
5MQ6
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BU of 5mq6 by Molmil
Polycyclic Ketone Monooxygenase from the Thermophilic Fungus Thermothelomyces thermophila
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Savino, S, Furst, M.J.L.J, Fraaije, M.W, Mattevi, A.
Deposit date:2016-12-20
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Polycyclic Ketone Monooxygenase from the Thermophilic Fungus Thermothelomyces thermophila: A Structurally Distinct Biocatalyst for Bulky Substrates.
J. Am. Chem. Soc., 139, 2017
5MQC
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BU of 5mqc by Molmil
Structure of black queen cell virus
Descriptor: VP1, VP2, VP3
Authors:Spurny, R, Kiem, H.H.T, Plevka, P.
Deposit date:2016-12-20
Release date:2017-01-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Virion Structure of Black Queen Cell Virus, a Common Honeybee Pathogen.
J. Virol., 91, 2017
5OXS
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BU of 5oxs by Molmil
Crystal structure of human lung surfactant protein D trimeric fragment with bound ligand Salmonella enterica Minnesota R5 oligosaccharide
Descriptor: CALCIUM ION, Pulmonary surfactant-associated protein D, alpha-D-glucopyranose-(1-3)-L-glycero-alpha-D-manno-heptopyranose-(1-3)-L-glycero-alpha-D-manno-heptopyranose-(1-5)-4,7-anhydro-3-deoxy-D-gluco-oct-2-ulosonic acid
Authors:Shrive, A.K, Greenhough, T.J.
Deposit date:2017-09-07
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural definition of hSP-D recognition of Salmonella enterica LPS inner core oligosaccharides reveals alternative binding modes for the same LPS.
PLoS ONE, 13, 2018
5ORB
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BU of 5orb by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 1-methyl-cyclopentapyrazole compound 30
Descriptor: 1,2-ETHANEDIOL, 2-(4-methoxyphenyl)sulfanyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)ethanamide, Bromodomain adjacent to zinc finger domain protein 2B
Authors:Lolli, G, Dalle Vedove, A, Marchand, J.-R, Caflisch, A.
Deposit date:2017-08-15
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking.
J Chem Inf Model, 57, 2017
5OXR
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BU of 5oxr by Molmil
Crystal structure of human lung surfactant protein D trimeric fragment with bound ligand Salmonella enterica Minnesota R7 oligosaccharide
Descriptor: CALCIUM ION, L-glycero-alpha-D-manno-heptopyranose-(1-3)-L-glycero-alpha-D-manno-heptopyranose-(1-5)-4,7-anhydro-3-deoxy-D-gluco-oct-2-ulosonic acid, Pulmonary surfactant-associated protein D
Authors:Shrive, A.K, Greenhough, T.J.
Deposit date:2017-09-07
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural definition of hSP-D recognition of Salmonella enterica LPS inner core oligosaccharides reveals alternative binding modes for the same LPS.
PLoS ONE, 13, 2018
5OR8
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BU of 5or8 by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 1,3-dimethyl-benzimidazolone compound 1
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxidanylidene-benzimidazole-5-sulfonamide
Authors:Lolli, G, Dalle Vedove, A, Marchand, J.-R, Caflisch, A.
Deposit date:2017-08-15
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking.
J Chem Inf Model, 57, 2017
5NHN
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BU of 5nhn by Molmil
Super-Folder Green Fluorescent Protein Artificiall dimer linked via 148 position
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Green fluorescent protein, ...
Authors:Worthy, H.L, Rizkallah, P.J.
Deposit date:2017-03-22
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Positive functional synergy of structurally integrated artificial protein dimers assembled by Click chemistry
Commun Chem, 2019

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