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4GP5
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BU of 4gp5 by Molmil
Structure of Recombinant Cytochrome ba3 Oxidase mutant Y133W from Thermus thermophilus
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ...
Authors:Li, Y, Chen, Y, Stout, C.D.
Deposit date:2012-08-20
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ligand Access to the Active Site in Thermus thermophilusba(3) and Bovine Heart aa(3) Cytochrome Oxidases.
Biochemistry, 52, 2013
6MT9
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BU of 6mt9 by Molmil
X-ray crystal structure of Bacillus subtilis ribonucleotide reductase NrdE alpha subunit with TTP, ATP, and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Thomas, W.C, Brooks, F.P, Bacik, J.P, Ando, N.
Deposit date:2018-10-19
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Convergent allostery in ribonucleotide reductase.
Nat Commun, 10, 2019
6MMH
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BU of 6mmh by Molmil
Diheteromeric NMDA receptor GluN1/GluN2A in the 'Extended-2' conformation, in complex with glycine and glutamate, in the presence of 1 millimolar zinc chloride, and at pH 7.4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, NMDA 1, ...
Authors:Jalali-Yazdi, F, Chowdhury, S, Yoshioka, C, Gouaux, E.
Deposit date:2018-09-30
Release date:2018-11-28
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (8.21 Å)
Cite:Mechanisms for Zinc and Proton Inhibition of the GluN1/GluN2A NMDA Receptor.
Cell, 175, 2018
6MMW
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BU of 6mmw by Molmil
Triheteromeric NMDA receptor GluN1/GluN2A/GluN2A* in the '2-Knuckle-Symmetric' conformation, in complex with glycine and glutamate, in the presence of 1 micromolar zinc chloride, and at pH 7.4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Jalali-Yazdi, F, Chowdhury, S, Yoshioka, C, Gouaux, E.
Deposit date:2018-10-01
Release date:2018-11-28
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Mechanisms for Zinc and Proton Inhibition of the GluN1/GluN2A NMDA Receptor.
Cell, 175, 2018
6MUY
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BU of 6muy by Molmil
Fluoroacetate dehalogenase, room temperature structure solved by serial 3 degree oscillation crystallography
Descriptor: CALCIUM ION, Fluoroacetate dehalogenase
Authors:Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D.
Deposit date:2018-10-24
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
4GTR
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BU of 4gtr by Molmil
FTase in complex with BMS analogue 13
Descriptor: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ...
Authors:Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
Deposit date:2012-08-29
Release date:2012-10-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
6MV9
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BU of 6mv9 by Molmil
X-ray crystal structure of Bacillus subtilis ribonucleotide reductase NrdE alpha subunit with TTP and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ribonucleoside-diphosphate reductase, ...
Authors:Thomas, W.C, Brooks, F.P, Bacik, J.P, Ando, N.
Deposit date:2018-10-24
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Convergent allostery in ribonucleotide reductase.
Nat Commun, 10, 2019
4LND
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BU of 4lnd by Molmil
Crystal structure of human apurinic/apyrimidinic endonuclease 1 with essential Mg2+ cofactor
Descriptor: DNA-(apurinic or apyrimidinic site) lyase, MAGNESIUM ION
Authors:Manvilla, B.A, Pozharski, E, Toth, E.A, Drohat, A.C.
Deposit date:2013-07-11
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure of human apurinic/apyrimidinic endonuclease 1 with the essential Mg(2+) cofactor.
Acta Crystallogr.,Sect.D, 69, 2013
4GWK
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BU of 4gwk by Molmil
Crystal structure of 6-phosphogluconate dehydrogenase complexed with 3-phosphoglyceric acid
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-PHOSPHOGLYCERIC ACID, 6-phosphogluconate dehydrogenase, ...
Authors:He, C, Zhou, L, Zhang, L.
Deposit date:2012-09-03
Release date:2012-11-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.534 Å)
Cite:Phosphoglycerate mutase 1 coordinates glycolysis and biosynthesis to promote tumor growth.
Cancer Cell, 22, 2012
7AHI
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BU of 7ahi by Molmil
Substrate-engaged type 3 secretion system needle complex from Salmonella enterica typhimurium - SpaR state 2
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, LAURYL DIMETHYLAMINE-N-OXIDE, Lipoprotein PrgK, ...
Authors:Fahrenkamp, D, Goessweiner-Mohr, N, Miletic, S, Wald, J, Marlovits, T.
Deposit date:2020-09-24
Release date:2021-03-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Substrate-engaged type III secretion system structures reveal gating mechanism for unfolded protein translocation
Nat Commun, 12, 2021
6MK4
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BU of 6mk4 by Molmil
Solution NMR structure of spider toxin analogue [E17K]ProTx-II
Descriptor: Beta/omega-theraphotoxin-Tp2a
Authors:Schroeder, C.I.
Deposit date:2018-09-25
Release date:2018-12-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Peptide-Membrane Interactions Affect the Inhibitory Potency and Selectivity of Spider Toxins ProTx-II and GpTx-1.
ACS Chem. Biol., 14, 2019
7AGX
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BU of 7agx by Molmil
Apo-state type 3 secretion system export apparatus complex from Salmonella enterica typhimurium
Descriptor: Protein PrgI, Protein PrgJ, Surface presentation of antigens protein SpaP, ...
Authors:Goessweiner-Mohr, N, Fahrenkamp, D, Miletic, S, Wald, J, Marlovits, T.
Deposit date:2020-09-23
Release date:2021-03-17
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Substrate-engaged type III secretion system structures reveal gating mechanism for unfolded protein translocation.
Nat Commun, 12, 2021
7K4M
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BU of 7k4m by Molmil
Crystal structure of MetAP2 Modified Hemoglobin S
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Musayev, F.N, Safo, M.K, Light, D.R.
Deposit date:2020-09-15
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:MetAP2 inhibition modifies hemoglobin S to delay polymerization and improves blood flow in sickle cell disease.
Blood Adv, 5, 2021
7B0N
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BU of 7b0n by Molmil
A 3.7-angstrom structure of Yarrowia lipolytica complex I with an R121M mutation in NUCM.
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, CARDIOLIPIN, ...
Authors:Hirst, J, Grba, D.
Deposit date:2020-11-20
Release date:2021-03-10
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A conserved arginine residue is critical for stabilizing the N2 FeS cluster in mitochondrial complex I.
J.Biol.Chem., 296, 2021
4LML
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BU of 4lml by Molmil
GLIC double mutant I9'A T25'A
Descriptor: Proton-gated ion channel
Authors:Grosman, C, Gonzalez-Gutierrez, G.
Deposit date:2013-07-10
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Gating of the proton-gated ion channel from Gloeobacter violaceus at pH 4 as revealed by X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 110, 2013
4HAG
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BU of 4hag by Molmil
Crystal structure of fc-fragment of human IgG2 antibody (centered crystal form)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-2 chain C region
Authors:Teplyakov, A, Malia, T, Obmolova, G, Zhao, Y, Gilliland, G.
Deposit date:2012-09-26
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:IgG2 Fc structure and the dynamic features of the IgG CH2-CH3 interface.
Mol.Immunol., 56, 2013
4HFI
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BU of 4hfi by Molmil
The GLIC pentameric Ligand-Gated Ion Channel at 2.4 A resolution
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Sauguet, L, Corringer, P.J, Delarue, M.
Deposit date:2012-10-05
Release date:2013-02-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels.
Embo J., 32, 2013
4LOU
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BU of 4lou by Molmil
Structure of the E148Q mutant of CLC-ec1 deltaNC construct in the absence of halide
Descriptor: Fab heavy chain, Fab light chain, H(+)/Cl(-) exchange transporter ClcA
Authors:Lim, H.-H, Miller, C.
Deposit date:2013-07-13
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.981 Å)
Cite:A fluoride interloper in a CLC-type Cl /H+ antiporter
Nat.Chem.Biol., 2013
6MKO
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BU of 6mko by Molmil
Crystallographic solvent mapping analysis of glycerol bound to APE1
Descriptor: DNA-(apurinic or apyrimidinic site) lyase, GLYCEROL
Authors:Georgiadis, M.M, He, H, Chen, Q.
Deposit date:2018-09-25
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
3I19
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BU of 3i19 by Molmil
1.4 Angstrom Crystal Structure of Fluorescent Protein Cypet
Descriptor: Green fluorescent protein
Authors:Hu, X.
Deposit date:2009-06-25
Release date:2010-06-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:1.4 Angstrom Crystal Structure of Fluorescent Protein Cypet
To be Published
6MMA
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BU of 6mma by Molmil
Diheteromeric NMDA receptor GluN1/GluN2A in the 'Extended' conformation, in complex with glycine and glutamate, in the presence of 1 micromolar zinc chloride, and at pH 6.1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, NMDA 1, ...
Authors:Jalali-Yazdi, F, Chowdhury, S, Yoshioka, C, Gouaux, E.
Deposit date:2018-09-29
Release date:2018-11-28
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (6.31 Å)
Cite:Mechanisms for Zinc and Proton Inhibition of the GluN1/GluN2A NMDA Receptor.
Cell, 175, 2018
3I1J
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BU of 3i1j by Molmil
Structure of a putative short chain dehydrogenase from Pseudomonas syringae
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Singer, A.U, Evdokimova, E, Kudritska, M, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-06-26
Release date:2009-07-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a putative short chain dehydrogenase from Pseudomonas syringae
To be Published
6MMT
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BU of 6mmt by Molmil
Triheteromeric NMDA receptor GluN1/GluN2A/GluN2A* in the '1-Knuckle' conformation, in complex with glycine and glutamate, in the presence of 1 micromolar zinc chloride, and at pH 7.4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Jalali-Yazdi, F, Chowdhury, S, Yoshioka, C, Gouaux, E.
Deposit date:2018-10-01
Release date:2018-11-28
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (7.46 Å)
Cite:Mechanisms for Zinc and Proton Inhibition of the GluN1/GluN2A NMDA Receptor.
Cell, 175, 2018
3I2H
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BU of 3i2h by Molmil
Cocaine Esterase with mutation L169K, bound to DTT adduct
Descriptor: (4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-DIOXOLAN-2-OL, CHLORIDE ION, Cocaine esterase, ...
Authors:Tesmer, J.J.G, Nance, M.R.
Deposit date:2009-06-29
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural analysis of thermostabilizing mutations of cocaine esterase.
Protein Eng.Des.Sel., 23, 2010
7JNI
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BU of 7jni by Molmil
Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex with EMA401
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FORMIC ACID, HEXANE-1,6-DIOL, ...
Authors:Cherezov, V, Shaye, H, Han, G.W.
Deposit date:2020-08-04
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Inhibition of the angiotensin II type 2 receptor AT 2 R is a novel therapeutic strategy for glioblastoma.
Proc.Natl.Acad.Sci.USA, 119, 2022

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