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6MXT
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Crystal structure of human beta2 adrenergic receptor bound to salmeterol and Nb71
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Endolysin, ...
Authors:Masureel, M, Zou, Y, Picard, L.P, van der Westhuizen, E, Mahoney, J.P, Rodrigues, J.P.G.L.M, Mildorf, T.J, Dror, R.O, Shaw, D.E, Bouvier, M, Pardon, E, Steyaert, J, Sunahara, R.K, Weis, W.I, Zhang, C, Kobilka, B.K.
Deposit date:2018-10-31
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95934224 Å)
Cite:Structural insights into binding specificity, efficacy and bias of a beta2AR partial agonist.
Nat. Chem. Biol., 14, 2018
6PPO
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BU of 6ppo by Molmil
Rhinovirus C15 complexed with domain I of receptor CDHR3
Descriptor: CALCIUM ION, Cadherin-related family member 3, Capsid protein VP1, ...
Authors:Sun, Y, Watters, K, Klose, T, Palmenberg, A.C.
Deposit date:2019-07-08
Release date:2020-03-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of rhinovirus C15a bound to its cadherin-related protein 3 receptor.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P7O
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BU of 6p7o by Molmil
Structure of E. coli MS115-1 NucC, Apo form
Descriptor: CHLORIDE ION, E. coli MS115-1 NucC, HEXAETHYLENE GLYCOL, ...
Authors:Ye, Q, Lau, R.K, Berg, K.R, Corbett, K.D.
Deposit date:2019-06-06
Release date:2019-12-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Structure and Mechanism of a Cyclic Trinucleotide-Activated Bacterial Endonuclease Mediating Bacteriophage Immunity.
Mol.Cell, 77, 2020
3OXJ
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BU of 3oxj by Molmil
crystal structure of glycine riboswitch, soaked in Ba2+
Descriptor: BARIUM ION, GLYCINE, MAGNESIUM ION, ...
Authors:Huang, L, Serganov, A, Patel, D.J.
Deposit date:2010-09-21
Release date:2010-12-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into ligand recognition by a sensing domain of the cooperative glycine riboswitch.
Mol.Cell, 40, 2010
6P7Q
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BU of 6p7q by Molmil
Structure of E. coli MS115-1 NucC, 5'-pApA bound form
Descriptor: CHLORIDE ION, E. coli MS115-1 NucC, RNA (5'-R(P*AP*A)-3')
Authors:Ye, Q, Lau, R.K, Berg, K.R, Corbett, K.D.
Deposit date:2019-06-06
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structure and Mechanism of a Cyclic Trinucleotide-Activated Bacterial Endonuclease Mediating Bacteriophage Immunity.
Mol.Cell, 77, 2020
6FGJ
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BU of 6fgj by Molmil
Crystal structure of the small alarmone synthethase 2 from Staphylococcus aureus
Descriptor: GTP pyrophosphokinase, TRIETHYLENE GLYCOL
Authors:Bange, G, Steinchen, W, Vogt, M, Altegoer, F.
Deposit date:2018-01-11
Release date:2018-02-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Structural and mechanistic divergence of the small (p)ppGpp synthetases RelP and RelQ.
Sci Rep, 8, 2018
6FGX
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BU of 6fgx by Molmil
Crystal structure of the small alarmone synthethase 2 from Staphylococcus aureus bound to AMPCPP
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GTP pyrophosphokinase, MAGNESIUM ION
Authors:Bange, G, Vogt, M, Steinchen, W, Altegoer, F.
Deposit date:2018-01-11
Release date:2018-02-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and mechanistic divergence of the small (p)ppGpp synthetases RelP and RelQ.
Sci Rep, 8, 2018
6FLH
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BU of 6flh by Molmil
Monomeric Human Cu,Zn Superoxide dismutase, SOD1 7+7, apo form
Descriptor: GLYCEROL, SULFATE ION, Superoxide dismutase [Cu-Zn]
Authors:Wang, H, Yang, F, Logan, D, Oliveberg, M.
Deposit date:2018-01-25
Release date:2018-11-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The Cost of Long Catalytic Loops in Folding and Stability of the ALS-Associated Protein SOD1.
J.Am.Chem.Soc., 140, 2018
6F6S
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BU of 6f6s by Molmil
CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH benztropine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Envelope glycoprotein, ...
Authors:Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I.
Deposit date:2017-12-06
Release date:2018-01-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection.
J. Med. Chem., 61, 2018
1S2W
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BU of 1s2w by Molmil
Crystal structure of phosphoenolpyruvate mutase in high ionic strength
Descriptor: Phosphoenolpyruvate phosphomutase, SULFATE ION
Authors:Liu, S, Lu, Z, Han, Y, Jia, Y, Howard, A, Dunaway-Mariano, D, Herzberg, O.
Deposit date:2004-01-11
Release date:2004-05-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Conformational Flexibility of PEP Mutase
Biochemistry, 43, 2004
1S0L
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BU of 1s0l by Molmil
Interleukin 1 beta mutant F42W
Descriptor: Interleukin-1 beta
Authors:Adamek, D.H, Guerrero, L, Caspar, D.L.D.
Deposit date:2003-12-31
Release date:2004-03-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural and energetic consequences of mutations in a solvated hydrophobic cavity.
J.Mol.Biol., 346, 2005
1S2U
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BU of 1s2u by Molmil
Crystal structure of the D58A phosphoenolpyruvate mutase mutant protein
Descriptor: DI(HYDROXYETHYL)ETHER, Phosphoenolpyruvate phosphomutase
Authors:Liu, S, Lu, Z, Han, Y, Jia, Y, Howard, A, Dunaway-Mariano, D, Herzberg, O.
Deposit date:2004-01-11
Release date:2004-05-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational Flexibility of PEP Mutase
Biochemistry, 43, 2004
1SB9
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BU of 1sb9 by Molmil
Crystal structure of Pseudomonas aeruginosa UDP-N-acetylglucosamine 4-epimerase complexed with UDP-glucose
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE-GLUCOSE, wbpP
Authors:Ishiyama, N, Creuzenet, C, Lam, J.S, Berghuis, A.M.
Deposit date:2004-02-10
Release date:2004-05-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of WbpP, a Genuine UDP-N-acetylglucosamine 4-Epimerase from Pseudomonas aeruginosa: SUBSTRATE SPECIFICITY IN UDP-HEXOSE 4-EPIMERASES.
J.Biol.Chem., 279, 2004
6FFC
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BU of 6ffc by Molmil
Structure of an inhibitor-bound ABC transporter
Descriptor: ATP-binding cassette sub-family G member 2, ~{tert}-butyl 3-[(2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-4,7-bis(oxidanylidene)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
Authors:Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Taylor, N.M.I, Bause, M, Bauer, S, Bartholomaeus, R, Stahlberg, H, Bernhardt, G, Koenig, B, Buschauer, A, Altmann, K.H, Locher, K.P.
Deposit date:2018-01-06
Release date:2018-04-11
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Structural basis of small-molecule inhibition of human multidrug transporter ABCG2.
Nat. Struct. Mol. Biol., 25, 2018
6FLF
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BU of 6flf by Molmil
Deoxyguanylosuccinate synthase (DgsS) structure at 1.33 Angstrom resolution.
Descriptor: Adenylosuccinate synthetase
Authors:Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A.
Deposit date:2018-01-25
Release date:2019-06-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:A third purine biosynthetic pathway encoded by aminoadenine-based viral DNA genomes.
Science, 372, 2021
6FM1
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BU of 6fm1 by Molmil
Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATPanddGMP at 2.3 Angstrom resolution
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, ...
Authors:Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A.
Deposit date:2018-01-29
Release date:2019-06-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A third purine biosynthetic pathway encoded by aminoadenine-based viral DNA genomes.
Science, 372, 2021
1S17
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BU of 1s17 by Molmil
Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors
Descriptor: 2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE, GLYCEROL, NICKEL (II) ION, ...
Authors:Molteni, V, He, X, Nabakka, J, Yang, K, Kreusch, A, Gordon, P, Bursulaya, B, Ryder, N.S, Goldberg, R, He, Y.
Deposit date:2004-01-05
Release date:2004-03-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Identification of novel potent bicyclic peptide deformylase inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
1S4Q
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BU of 1s4q by Molmil
Crystal Structure of Guanylate Kinase from Mycobacterium tuberculosis (Rv1389)
Descriptor: CHLORIDE ION, FORMIC ACID, Guanylate kinase
Authors:Chan, S, Sawaya, M.R, Perry, L.J, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2004-01-16
Release date:2004-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal Structure of Guanylate Kinase from Mycobacterium tuberculosis
To be Published
6FQF
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BU of 6fqf by Molmil
THE X-RAY STRUCTURE OF FERRIC-BETA4 HUMAN HEMOGLOBIN
Descriptor: Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Mazzarella, L, Merlino, A, Balasco, N, Balsamo, A, Vergara, A.
Deposit date:2018-02-14
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the ferric homotetrameric beta4human hemoglobin.
Biophys. Chem., 240, 2018
3MOR
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BU of 3mor by Molmil
Crystal structure of Cathepsin B from Trypanosoma Brucei
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin B-like cysteine protease, ...
Authors:Cupelli, K, Stehle, T.
Deposit date:2010-04-23
Release date:2011-11-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:In vivo protein crystallization opens new routes in structural biology.
Nat.Methods, 9, 2012
6FPC
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BU of 6fpc by Molmil
Structure of the PRO-PRO endopeptidase (PPEP-2) from Paenibacillus alvei
Descriptor: CADMIUM ION, PRO-PRO endopeptidase, SULFATE ION, ...
Authors:Weeks, S.D, Klychnikov, O.I, Hensbergen, P.J, Strelkov, S.V.
Deposit date:2018-02-09
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of a new Pro-Pro endopeptidase, PPEP-2, provides mechanistic insights into the differences in substrate specificity within the PPEP family.
J. Biol. Chem., 293, 2018
1TV4
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BU of 1tv4 by Molmil
Crystal structure of the sulfite MtmB complex
Descriptor: 3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID, Monomethylamine methyltransferase mtmB1, SULFATE ION
Authors:Hao, B, Zhao, G, Kang, P.T, Soares, J.A, Ferguson, T.K, Gallucci, J, Krzycki, J.A, Chan, M.K.
Deposit date:2004-06-26
Release date:2004-10-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Reactivity and chemical synthesis of L-pyrrolysine- the 22(nd) genetically encoded amino acid
Chem.Biol., 11, 2004
1TVE
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BU of 1tve by Molmil
Homoserine Dehydrogenase in complex with 4-(4-hydroxy-3-isopropylphenylthio)-2-isopropylphenol
Descriptor: 4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-2-ISOPROPYLPHENOL, Homoserine dehydrogenase
Authors:Ejim, L, Mirza, I.A, Capone, C, Nazi, I, Jenkins, S, Chee, G.L, Berghuis, A.M, Wright, G.D.
Deposit date:2004-06-29
Release date:2004-07-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:New phenolic inhibitors of yeast homoserine dehydrogenase
Bioorg.Med.Chem., 12, 2004
1U9L
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BU of 1u9l by Molmil
Structural basis for a NusA- protein N interaction
Descriptor: GOLD ION, Lambda N, Transcription elongation protein nusA
Authors:Bonin, I, Muehlberger, R, Bourenkov, G.P, Huber, R, Bacher, A, Richter, G, Wahl, M.C.
Deposit date:2004-08-10
Release date:2004-08-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the interaction of Escherichia coli NusA with protein N of phage lambda
Proc.Natl.Acad.Sci.Usa, 101, 2004
6FVG
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BU of 6fvg by Molmil
The Structure of CK2alpha with CCh507 bound
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, [1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate
Authors:Brear, P, Prudent, R, Laudet, B, Filhol, O, Cochet, C, Sautel, C, Moucadel, V, Bestgen, B, Engel, M, Ettaoussi, M, Lomberget, T, Le Borgne, M, Kufareva, I, Abagyan, R, Hyvonen, M.
Deposit date:2018-03-02
Release date:2019-06-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2 inhibitors.
Sci Rep, 9, 2019

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