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3VC5
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BU of 3vc5 by Molmil
Crystal structure of enolase Tbis_1083(TARGET EFI-502310) FROM Thermobispora bispora DSM 43833 complexed with phosphate
Descriptor: Mandelate racemase/muconate lactonizing protein, PHOSPHATE ION
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-01-03
Release date:2012-02-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of enolase Tbis_1083 FROM Thermobispora bispora DSM 43833
To be Published
7MD7
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BU of 7md7 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with triphenylphosphonium analog of chloramphenicol CAM-C4-TPP and protein Y (YfiA) at 2.80A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
Authors:Chen, C.-W, Pavlova, J.A, Lukianov, D.A, Tereshchenkov, A.G, Makarov, G.I, Khairullina, Z.Z, Tashlitsky, V.N, Paleskava, A, Konevega, A.L, Bogdanov, A.A, Osterman, I.A, Sumbatyan, N.V, Polikanov, Y.S.
Deposit date:2021-04-03
Release date:2021-04-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding and Action of Triphenylphosphonium Analog of Chloramphenicol upon the Bacterial Ribosome.
Antibiotics, 10, 2021
3DU0
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BU of 3du0 by Molmil
E. coli dihydrodipicolinate synthase with first substrate, pyruvate, bound in active site
Descriptor: CHLORIDE ION, Dihydrodipicolinate synthase, GLYCEROL, ...
Authors:Dobson, R.C.J, Devenish, S.R.A, Gerrard, J.A, Jameson, G.B.
Deposit date:2008-07-16
Release date:2008-11-18
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:The high-resolution structure of dihydrodipicolinate synthase from Escherichia coli bound to its first substrate, pyruvate.
Acta Crystallogr.,Sect.F, 64, 2008
5E14
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BU of 5e14 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol
Descriptor: 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-29
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
3VDG
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BU of 3vdg by Molmil
Crystal structure of enolase MSMEG_6132 (TARGET EFI-502282) from Mycobacterium smegmatis str. MC2 155 complexed with formate and acetate
Descriptor: ACETATE ION, CHLORIDE ION, FORMIC ACID, ...
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2012-01-05
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of enolase MSMEG_6132 FROM Mycobacterium smegmatis
To be Published
3VFH
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BU of 3vfh by Molmil
BlaC E166A CDC-1 Acyl-Intermediate
Descriptor: (2R)-5-methylidene-2-{(1R)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Mire, J.A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-01-09
Release date:2012-09-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:BlaC-Specific Fluorogenic Probes for Rapid Tuberculosis Detection
To be Published
5AYB
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BU of 5ayb by Molmil
Crystal structure of GH1 Beta-Glucosidase TD2F2 N223G mutant
Descriptor: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, BETA-GLUCOSIDASE, ...
Authors:Jo, T, Manninen, J.A, Matsuzawa, T, Uchiyama, T, Yaoi, K, Arakawa, T, Fushinobu, S.
Deposit date:2015-08-12
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2
Febs J., 283, 2016
1TEX
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BU of 1tex by Molmil
Mycobacterium smegmatis Stf0 Sulfotransferase with Trehalose
Descriptor: Stf0 Sulfotransferase, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Authors:Mougous, J.D, Petzold, C.J, Senaratne, R.H, Lee, D.H, Akey, D.L, Lin, F.L, Munchel, S.E, Pratt, M.R, Riley, L.W, Leary, J.A, Berger, J.M, Bertozzi, C.R.
Deposit date:2004-05-25
Release date:2004-07-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification, function and structure of the mycobacterial sulfotransferase that initiates sulfolipid-1 biosynthesis.
Nat.Struct.Mol.Biol., 11, 2004
1TG9
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BU of 1tg9 by Molmil
Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
Descriptor: Carbonic anhydrase II, ZINC ION
Authors:Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R.
Deposit date:2004-05-28
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II
Biochemistry, 44, 2005
5AXG
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BU of 5axg by Molmil
Crystal structure of thermophilic dextranase from Thermoanaerobacter pseudethanolicus
Descriptor: 1,2-ETHANEDIOL, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Dextranase, ...
Authors:Suzuki, N, Kishine, N, Fujimoto, Z, Sakurai, M, Momma, M, Ko, J.A, Nam, S.H, Kimura, A, Kim, Y.M.
Deposit date:2015-07-29
Release date:2015-11-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of thermophilic dextranase from Thermoanaerobacter pseudethanolicus
J.Biochem., 159, 2016
1T1F
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BU of 1t1f by Molmil
Crystal Structure of Native Antithrombin in its Monomeric Form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antithrombin-III, GLYCEROL, ...
Authors:Johnson, D.J.D, Huntington, J.A.
Deposit date:2004-04-16
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of monomeric native antithrombin reveals a novel reactive center loop conformation
J.Biol.Chem., 281, 2006
7JRP
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BU of 7jrp by Molmil
Plant Mitochondrial complex SC III2+IV from Vigna radiata
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Alpha-MPP, ...
Authors:Maldonado, M, Letts, J.A.
Deposit date:2020-08-12
Release date:2021-01-20
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Atomic structures of respiratory complex III 2 , complex IV, and supercomplex III 2 -IV from vascular plants.
Elife, 10, 2021
1TEL
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BU of 1tel by Molmil
Crystal structure of a RubisCO-like protein from Chlorobium tepidum
Descriptor: ribulose bisphosphate carboxylase, large subunit
Authors:Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2004-05-25
Release date:2004-10-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of a RubisCO-like protein from Chlorobium tepidum
To be Published
5AN4
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BU of 5an4 by Molmil
Crystal structure of the human 8-oxoguanine glycosylase (OGG1) processed with the CrystalDirect automated mounting and cryo-cooling technology
Descriptor: N-GLYCOSYLASE/DNA LYASE, SULFATE ION
Authors:Zander, U, Ytre-Arne, M, Dalhus, B, Hoffmann, G, Cornaciu, I, Cipriani, F, Marquez, J.A.
Deposit date:2015-09-04
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
1TG3
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BU of 1tg3 by Molmil
Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
Descriptor: Carbonic anhydrase II, SULFATE ION, ZINC ION
Authors:Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R.
Deposit date:2004-05-28
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II
Biochemistry, 44, 2005
5ANG
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BU of 5ang by Molmil
Crystal structure of CDK2 in complex with 7-hydroxy-4-(morpholinomethyl)chromen-2-one processed with the CrystalDirect automated mounting and cryo-cooling technology
Descriptor: 7-HYDROXY-4-(MORPHOLINOMETHYL)CHROMEN-2-ONE, CYCLIN-DEPENDENT KINASE 2
Authors:Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
4A33
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BU of 4a33 by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND
Descriptor: 2,6-DICHLORO-4-(6-PIPERAZIN-1-YLPYRIDIN-3-YL)-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
Authors:Robinson, D.A, Brand, S, Cleghorn, L.A.T, McElroy, S.P, Smith, V.C, Hallyburton, I, Harrison, J.R, Norcross, N.R, Norval, S, Spinks, D, Stojanovski, L, Torrie, L.S, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Read, K.D, Wyatt, P.G, Gilbert, I.H.
Deposit date:2011-09-29
Release date:2011-12-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
J. Med. Chem., 55, 2012
3H1P
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BU of 3h1p by Molmil
Mature Caspase-7 I213A with DEVD-CHO inhibitor bound to active site
Descriptor: Caspase-7, N-ACETYL-L-ALPHA-ASPARTYL-L-ALPHA-GLUTAMYL-N-[(2S)-1-CARBOXY-3-HYDROXYPROPAN-2-YL]-L-VALINAMIDE
Authors:Witkowski, W.A, Hardy, J.A.
Deposit date:2009-04-13
Release date:2009-06-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:L2' loop is critical for caspase-7 active site formation.
Protein Sci., 18, 2009
4A30
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BU of 4a30 by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND
Descriptor: 4-BROMO-2,6-DICHLORO-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, CHLORIDE ION, GLYCEROL, ...
Authors:Robinson, D.A, Brand, S, Fairlamb, A.H, Ferguson, M.A.J, Frearson, J.A, Wyatt, P.G.
Deposit date:2011-09-29
Release date:2011-12-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
J. Med. Chem., 55, 2012
3H5G
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BU of 3h5g by Molmil
Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides.
Descriptor: ACETATE ION, COIL SER L16D-Pen, ZINC ION
Authors:Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L.
Deposit date:2009-04-22
Release date:2009-07-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides.
Angew.Chem.Int.Ed.Engl., 48, 2009
3H8I
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BU of 3h8i by Molmil
The first X-ray structure of a sulfide:quinone oxidoreductase: Insights into sulfide oxidation mechanism
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase, PHOSPHATE ION, ...
Authors:Brito, J.A, Sousa, F.L, Stelter, M, Bandeiras, T.M, Vonrhein, C, Teixeira, M, Pereira, M.M, Archer, M.
Deposit date:2009-04-29
Release date:2009-06-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and functional insights into sulfide:quinone oxidoreductase.
Biochemistry, 48, 2009
4A8I
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BU of 4a8i by Molmil
Protein crystallization and microgravity: glucose isomerase crystals grown during the PCDF-PROTEIN mission
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, XYLOSE ISOMERASE
Authors:Decanniere, K, Patino-Lopez, L.-D, Sleutel, M, Evrard, C, Van De Weerdt, C, Haumont, E, Gavira, J.A, Otalora, F, Maes, D.
Deposit date:2011-11-21
Release date:2011-11-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Protein Crystallization and Microgravity: Glucose Isomerase Crystals Grown During the Pcdf-Protein Mission
To be Published
1SZS
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BU of 1szs by Molmil
The structure of gamma-aminobutyrate aminotransferase mutant: I50Q
Descriptor: 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-aminobutyrate aminotransferase, ...
Authors:Liu, W, Peterson, P.E, Langston, J.A, Jin, X, Zhou, X, Fisher, A.J, Toney, M.D.
Deposit date:2004-04-06
Release date:2005-03-01
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Kinetic and Crystallographic Analysis of Active Site Mutants of Escherichia coligamma-Aminobutyrate Aminotransferase.
Biochemistry, 44, 2005
7KDF
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BU of 7kdf by Molmil
Structure of Stu2 Bound to dwarf Ndc80c
Descriptor: NDC80 isoform 1,NDC80 isoform 1, NUF2 isoform 1,NUF2 isoform 1, SPC25 isoform 1,SPC25 isoform 1, ...
Authors:Zahm, J.A, Stewart, M.G, Miller, M.P, Harrison, S.C.
Deposit date:2020-10-08
Release date:2020-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural basis of Stu2 recruitment to yeast kinetochores.
Elife, 10, 2021
1UXL
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BU of 1uxl by Molmil
I113T mutant of human SOD1
Descriptor: COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ...
Authors:Hough, M.A, Grossmann, J.G, Antonyuk, S.V, Strange, R.W, Doucette, P.A, Rodriguez, J.A, Whitson, L.J, Hart, P.J, Hayward, L.J, Valentine, J.S, Hasnain, S.S.
Deposit date:2004-02-25
Release date:2004-03-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Dimer Destabilization in Superoxide Dismutase May Result in Disease-Causing Properties: Structures of Motor Neuron Disease Mutants
Proc.Natl.Acad.Sci.USA, 101, 2004

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