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5I70
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BU of 5i70 by Molmil
Crystal Structure of plasmepsin IV
Descriptor: Pepstatin A, Plasmepsin IV
Authors:Asojo, O.A.
Deposit date:2016-02-16
Release date:2016-03-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of plasmepsin IV
To Be Published
5I7C
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BU of 5i7c by Molmil
Centrosomin-motif 2 (CM2) domain of Drosophila melanogaster Centrosomin (Cnn)
Descriptor: Centrosomin, ZINC ION
Authors:Feng, Z, Cottee, M.A, Johnson, S, Lea, S.M.
Deposit date:2016-02-17
Release date:2017-03-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.804 Å)
Cite:Structural Basis for Mitotic Centrosome Assembly in Flies.
Cell, 169, 2017
5IQ6
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BU of 5iq6 by Molmil
Crystal structure of Dengue virus serotype 3 RNA dependent RNA polymerase bound to HeE1-2Tyr, a new pyridobenzothizole inhibitor
Descriptor: N-[8-(cyclohexyloxy)-1-oxo-2-phenyl-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonyl]-L-tyrosine, RNA dependent RNA polymerase, ZINC ION
Authors:Tarantino, D, Mastrangelo, E, Milani, M.
Deposit date:2016-03-10
Release date:2016-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Targeting flavivirus RNA dependent RNA polymerase through a pyridobenzothiazole inhibitor.
Antiviral Res., 134, 2016
5VLB
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BU of 5vlb by Molmil
Crystal Structure of Medicago truncatula L-Histidinol Dehydrogenase in Complex with Imidazole
Descriptor: DI(HYDROXYETHYL)ETHER, Histidinol dehydrogenase, chloroplastic, ...
Authors:Ruszkowski, M, Dauter, Z.
Deposit date:2017-04-25
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structures of Medicago truncatula L-Histidinol Dehydrogenase Show Rearrangements Required for NAD(+) Binding and the Cofactor Positioned to Accept a Hydride.
Sci Rep, 7, 2017
5VM5
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BU of 5vm5 by Molmil
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB2B9, with Ser bound
Descriptor: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, SODIUM ION, Tryptophan synthase beta chain 1, ...
Authors:Buller, A.R, van Roye, P.
Deposit date:2017-04-26
Release date:2017-05-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
J. Am. Chem. Soc., 140, 2018
7LMS
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BU of 7lms by Molmil
Structure of human SetD3 methyl-transferase in complex with 2A protease from Coxsackievirus B3
Descriptor: Actin-histidine N-methyltransferase, Protease 2A, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Verba, K.A, Schulze-Gahmen, U.
Deposit date:2021-02-05
Release date:2022-08-10
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure-function analysis of enterovirus protease 2A in complex with its essential host factor SETD3.
Nat Commun, 13, 2022
5I7Q
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BU of 5i7q by Molmil
Crystal structure of Fkbp12-IF(SlpA), a chimeric protein of human Fkbp12 and the insert in flap domain of Ecoli SlpA
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1A,FKBP-type 16 kDa peptidyl-prolyl cis-trans isomerase,Peptidyl-prolyl cis-trans isomerase FKBP1A
Authors:Jakob, R.P, Dobbek, H, Schmid, F.X.
Deposit date:2016-02-18
Release date:2017-03-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Analysis of Chaperone Domain Insertion in Fkbp12
To Be Published
5IQD
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BU of 5iqd by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPNP, Magnesium, and Ribostamycin
Descriptor: Bifunctional AAC/APH, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Caldwell, S.J, Berghuis, A.M.
Deposit date:2016-03-10
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
5I9E
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BU of 5i9e by Molmil
Crystal structure of a nuclear actin ternary complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ...
Authors:Chen, Z, Cao, T.
Deposit date:2016-02-20
Release date:2016-07-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a nuclear actin ternary complex.
Proc.Natl.Acad.Sci.USA, 113, 2016
5VNH
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BU of 5vnh by Molmil
Crystal structure of Sec23a/Sec24a/Sec22 complexed with a C-terminal SV sorting motif
Descriptor: C-terminal SV motif, Protein transport protein Sec23A, Protein transport protein Sec24A, ...
Authors:Ma, W, Goldberg, J.
Deposit date:2017-04-30
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:ER retention is imposed by COPII protein sorting and attenuated by 4-phenylbutyrate.
Elife, 6, 2017
7LR9
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BU of 7lr9 by Molmil
Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed imipenem
Descriptor: (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC
Authors:Furey, I, Palzkill, T, Hu, L, Prasad, B.V.V.
Deposit date:2021-02-16
Release date:2022-08-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal structure of KPC-2 T215P mutant
To Be Published
5IB0
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BU of 5ib0 by Molmil
PA4534: acetyl CoA complex
Descriptor: ACETYL COENZYME *A, GLYCEROL, Uncharacterized protein PA4534
Authors:Choe, J, Shin, S.
Deposit date:2016-02-22
Release date:2017-03-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of PA4534
To Be Published
5VOF
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BU of 5vof by Molmil
DesGla-XaS195A Bound to Aptamer 11F7t and Rivaroxaban
Descriptor: 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide, CALCIUM ION, Coagulation factor X, ...
Authors:Krishnaswamy, S, Kumar, S.
Deposit date:2017-05-02
Release date:2018-06-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass.
Nat. Biotechnol., 36, 2018
7LMX
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BU of 7lmx by Molmil
A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE
Descriptor: Integrin inhibitor
Authors:Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
Deposit date:2021-02-06
Release date:2022-08-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
5IRM
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BU of 5irm by Molmil
Crystal structure of rabbit NOD2 in an ADP-bound state (Crystal form2)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Uncharacterized protein
Authors:Maekawa, S, Ohto, U, Shimizu, T.
Deposit date:2016-03-14
Release date:2016-06-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Crystal structure of NOD2 and its implications in human disease.
Nat Commun, 7, 2016
5IS4
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BU of 5is4 by Molmil
Endothiapepsin in complex with chiral brominated primary amine fragment
Descriptor: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2016-03-15
Release date:2017-03-29
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.368 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
to be published
5VON
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BU of 5von by Molmil
Methionine synthase folate-binding domain from Thermus thermophilus HB8
Descriptor: 5-methyltetrahydrofolate homocysteine S-methyltransferase, GLYCEROL
Authors:Yamada, K, Koutmos, M.
Deposit date:2017-05-03
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The folate-binding module of Thermus thermophilus cobalamin-dependent methionine synthase displays a distinct variation of the classical TIM barrel: a TIM barrel with a `twist'.
Acta Crystallogr D Struct Biol, 74, 2018
5VOU
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BU of 5vou by Molmil
Structure of AMPA receptor-TARP complex
Descriptor: Glutamate receptor 2, Voltage-dependent calcium channel gamma-2 subunit
Authors:Chen, S, Zhao, Y, Wang, Y.S, Shekhar, M, Tajkhorshid, E, Gouaux, E.
Deposit date:2017-05-03
Release date:2017-07-12
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Activation and Desensitization Mechanism of AMPA Receptor-TARP Complex by Cryo-EM.
Cell, 170, 2017
5ISB
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BU of 5isb by Molmil
Crystal structure of mouse CARM1 in complex with inhibitor SA0435
Descriptor: 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, 5'-{[(3S)-3-amino-3-carboxypropyl][(1H-imidazol-4-yl)methyl]amino}-5'-deoxyadenosine, ...
Authors:Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J.
Deposit date:2016-03-15
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of mouse CARM1 in complex with inhibitor SA0435
To Be Published
7LXR
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BU of 7lxr by Molmil
Kinesin-like protein at 61F (Klp61f) bound to AMPPNP
Descriptor: 1,2-ETHANEDIOL, IODIDE ION, Kinesin-like protein Klp61F, ...
Authors:Worthylake, D.K, Wojcik, E.J.
Deposit date:2021-03-04
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.744 Å)
Cite:Crystal Structure of the Klp61f motor domain bound to AMPPNP
To Be Published
5IBM
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BU of 5ibm by Molmil
Structure of S502P, a Cancer-Associated Mutation of the Oncogenic Phosphatase SHP2
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Blacklow, S.C, Stams, T, Fodor, M, LaRochelle, J.R.
Deposit date:2016-02-22
Release date:2016-04-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural and Functional Consequences of Three Cancer-Associated Mutations of the Oncogenic Phosphatase SHP2.
Biochemistry, 55, 2016
5IC8
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BU of 5ic8 by Molmil
Structure of UTP6
Descriptor: Putative uncharacterized protein
Authors:Zhang, C, Ye, K.
Deposit date:2016-02-23
Release date:2016-07-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Integrative structural analysis of the UTPB complex, an early assembly factor for eukaryotic small ribosomal subunits
Nucleic Acids Res., 44, 2016
5ICR
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BU of 5icr by Molmil
2.25 Angstrom Resolution Crystal Structure of Fatty-Acid-CoA Ligase (FadD32) from Mycobacterium smegmatis in complex with Inhibitor 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine.
Descriptor: 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine, Acyl-CoA synthase, CHLORIDE ION, ...
Authors:Minasov, G, Shuvalova, L, Hung, D, Fisher, S.L, Edelstein, J, Kiryukhina, O, Dubrovska, I, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-02-23
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:2.25 Angstrom Resolution Crystal Structure of Fatty-Acid-CoA Ligase (FadD32) from Mycobacterium smegmatis in complex with Inhibitor 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine.
To Be Published
6PRY
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BU of 6pry by Molmil
X-ray crystal structure of the blue-light absorbing state of PixJ from Thermosynechococcus elongatus by serial femtosecond crystallographic analysis
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Burgie, E.S, Clinger, J.A, Miller, M.D, Phillips Jr, G.N, Vierstra, R.D, Orville, A.M, Kern, J.F.
Deposit date:2019-07-12
Release date:2019-12-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Photoreversible interconversion of a phytochrome photosensory module in the crystalline state.
Proc.Natl.Acad.Sci.USA, 117, 2020
5VWA
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BU of 5vwa by Molmil
Y316F mutant of corn root ferredoxin:NADP+ reductase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, MAGNESIUM ION
Authors:Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A.
Deposit date:2017-05-21
Release date:2017-08-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily.
FEBS J., 284, 2017

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