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6MI6
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BU of 6mi6 by Molmil
STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH AN ADP ANALOG
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}phosphoryl]oxy}phosphoryl]adenosine, ADENOSINE-5'-DIPHOSPHATE, Chemotaxis protein CheA, ...
Authors:Crane, B.R, Muok, A.R, Chua, T.K, Le, H.
Deposit date:2018-09-19
Release date:2018-12-05
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Nucleotide Spin Labeling for ESR Spectroscopy of ATP-Binding Proteins.
Appl.Magn.Reson., 49, 2018
8ECP
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BU of 8ecp by Molmil
R16A PA0709 with BME modifications
Descriptor: ACETATE ION, Antibiotic biosynthesis monooxygenase, GLYCEROL, ...
Authors:Cuthbert, B.J, Goulding, C.W, Ulijasz, A.
Deposit date:2022-09-02
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural characterization of PA0709
To Be Published
6WYG
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BU of 6wyg by Molmil
Crystal structure of Human H-chain Ferritin variant 157C Delta C-star Modified with a RAFT agent
Descriptor: CALCIUM ION, FE (III) ION, Ferritin heavy chain, ...
Authors:Bailey, J.B, Zhang, L.
Deposit date:2020-05-12
Release date:2020-11-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Anisotropic Dynamics and Mechanics of Macromolecular Crystals Containing Lattice-Patterned Polymer Networks.
J.Am.Chem.Soc., 142, 2020
6WK9
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BU of 6wk9 by Molmil
Crystal structure of Gdx-Clo from Small Multidrug Resistance family of transporters in complex with octylguanidinium
Descriptor: DECYL-BETA-D-MALTOPYRANOSIDE, L10 monobody, Multidrug resistance protein, ...
Authors:Kermani, A.A, Stockbridge, R.B.
Deposit date:2020-04-15
Release date:2020-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:The structural basis of promiscuity in small multidrug resistance transporters.
Nat Commun, 11, 2020
1CXE
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BU of 1cxe by Molmil
COMPLEX OF CGTASE WITH MALTOTETRAOSE AT ROOM TEMPERATURE AND PH 9.1 BASED ON DIFFRACTION DATA OF A CRYSTAL SOAKED WITH ALPHA-CYCLODEXTRIN
Descriptor: CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Knegtel, R.M.A, Strokopytov, B.V, Dijkstra, B.W.
Deposit date:1995-07-28
Release date:1995-12-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic studies of the interaction of cyclodextrin glycosyltransferase from Bacillus circulans strain 251 with natural substrates and products.
J.Biol.Chem., 270, 1995
6WJ9
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BU of 6wj9 by Molmil
UDP-GlcNAc C4-epimerase mutant S121A/Y146F from Pseudomonas protegens in complex with UDP-GlcNAc
Descriptor: NAD-dependent epimerase/dehydratase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Marmont, L.S, Willams, R.J, Whitney, J.C, Whitfield, G.B, Robinson, H, Parsek, M.R, Nitz, M, Harrison, J.J, Howell, P.L.
Deposit date:2020-04-13
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:PelX is a UDP-N-acetylglucosamine C4-epimerase involved in Pel polysaccharide-dependent biofilm formation.
J.Biol.Chem., 295, 2020
6NZK
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BU of 6nzk by Molmil
Structural basis for human coronavirus attachment to sialic acid receptors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike surface glycoprotein, ...
Authors:Tortorici, M.A, Walls, A.C, Lang, Y, Wang, C, Li, Z, Koerhuis, D, Boons, G.J, Bosch, B.J, Rey, F.A, de Groot, R, Veesler, D.
Deposit date:2019-02-13
Release date:2019-06-05
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for human coronavirus attachment to sialic acid receptors.
Nat.Struct.Mol.Biol., 26, 2019
6NXG
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BU of 6nxg by Molmil
Crystal structure of glycylpeptide N-tetradecanoyltransferase from Plasmodium vivax in complex with inhibitor 303a
Descriptor: 1,2-ETHANEDIOL, 5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one, BETA-MERCAPTOETHANOL, ...
Authors:Staker, B.L, Mayclin, S, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-02-08
Release date:2020-01-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of Selective Inhibitors ofPlasmodiumN-Myristoyltransferase by High-Throughput Screening.
J.Med.Chem., 63, 2020
5E5O
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BU of 5e5o by Molmil
I-SmaMI bound to uncleaved DNA target in the presence of Calcium ions
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (25-MER), ...
Authors:Shen, B.W.
Deposit date:2015-10-08
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease.
J.Mol.Biol., 428, 2016
6O3C
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BU of 6o3c by Molmil
Crystal structure of active Smoothened bound to SAG21k, cholesterol, and NbSmo8
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide, ...
Authors:Deshpande, I.S, Liang, J, Hedeen, D, Roberts, K.J, Zhang, Y, Ha, B, Latorraca, N.R, Faust, B, Dror, R.O, Beachy, P.A, Myers, B.R, Manglik, A.
Deposit date:2019-02-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Smoothened stimulation by membrane sterols drives Hedgehog pathway activity.
Nature, 571, 2019
5NFZ
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BU of 5nfz by Molmil
TUBULIN-MTC complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-methoxy-5-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one, CALCIUM ION, ...
Authors:Field, J.J, Pera, B, Estevez Gallego, J, Calvo, E, Rodriguez-Salarichs, J, Saez-Calvo, G, Zuwerra, D, Jordi, M, Prota, A.E, Menchon, G, Miller, J.H, Altmann, K.-H, Diaz, J.F.
Deposit date:2017-03-16
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Zampanolide Binding to Tubulin Indicates Cross-Talk of Taxane Site with Colchicine and Nucleotide Sites.
J. Nat. Prod., 81, 2018
6CDE
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BU of 6cde by Molmil
Cryo-EM structure at 3.8 A resolution of vaccine-elicited antibody vFP20.01 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, ...
Authors:Acharya, P, Xu, K, Liu, K, Carragher, B, Potter, C.S, Kwong, P.D.
Deposit date:2018-02-08
Release date:2018-05-16
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
7SFW
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BU of 7sfw by Molmil
CryoEM structure of Venezuelan Equine Encephalitis virus (VEEV) TC-83 strain VLP in complex with Fab hVEEV-63 (focus refine of the asymmetric unit)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein, Spike glycoprotein E1, ...
Authors:Binshtein, E, Crowe, J.E.
Deposit date:2021-10-04
Release date:2022-03-16
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Neutralizing antibodies protect mice against Venezuelan equine encephalitis virus aerosol challenge.
J.Exp.Med., 219, 2022
5JYB
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BU of 5jyb by Molmil
Crystal structure of 3 mutant of Ba3275 (S116A, E243A, H313A), the member of S66 family of serine peptidases
Descriptor: 1,2-ETHANEDIOL, 2-BUTANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Nocek, B, Jedrzejczak, R, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-05-13
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.647 Å)
Cite:Crystal structure of 3 mutant of Ba3275 (S116A, E243A, H313A), the member of S66 family of serine peptidases
To Be Published
7SFU
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BU of 7sfu by Molmil
CryoEM structure of Venezuelan Equine Encephalitis virus (VEEV) TC-83 strain VLP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein, Spike glycoprotein E1, ...
Authors:Binshtein, E, Crowe, J.E.
Deposit date:2021-10-04
Release date:2022-03-16
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Neutralizing antibodies protect mice against Venezuelan equine encephalitis virus aerosol challenge.
J.Exp.Med., 219, 2022
7SFV
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BU of 7sfv by Molmil
CryoEM structure of Venezuelan Equine Encephalitis virus (VEEV) TC-83 strain VLP in complex with Fab hVEEV-63
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein, Spike glycoprotein E1, ...
Authors:Binshtein, E, Crowe, J.E.
Deposit date:2021-10-04
Release date:2022-03-16
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Neutralizing antibodies protect mice against Venezuelan equine encephalitis virus aerosol challenge.
J.Exp.Med., 219, 2022
8VXY
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BU of 8vxy by Molmil
Structure of HamA(E138A,K140A)B-plasmid DNA complex from the Escherichia coli Hachiman defense system
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, HamA, HamB, ...
Authors:Tuck, O.T, Hu, J.J, Doudna, J.A.
Deposit date:2024-02-06
Release date:2024-03-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Hachiman is a genome integrity sensor.
Biorxiv, 2024
9FEB
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BU of 9feb by Molmil
Short-chain dehydrogenase/reductase (SDR) from Thermus caliditerrae in complex with NADP
Descriptor: MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SDR family oxidoreductase
Authors:Kapur, B, Nar, H.
Deposit date:2024-05-17
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:In silico enzyme screening identifies an SDR ketoreductase from Thermus caliditerrae as an attractive biocatalyst and promising candidate for protein engineering
Front Chem Biol, 2024
9C1Q
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BU of 9c1q by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound
Descriptor: (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(3-methoxyprop-1-yn-1-yl)-1H-pyrrole-3-carboxamide, CHLORIDE ION, DDB1- and CUL4-associated factor 1, ...
Authors:kimani, S, Dong, A, Li, Y, Seitova, A, Al-awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L.
Deposit date:2024-05-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound
To be published
5D9Q
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BU of 5d9q by Molmil
Crystal Structure of the BG505 SOSIP gp140 HIV-1 Env trimer in Complex with the Broadly Neutralizing Fab PGT122 and scFv NIH45-46
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:Julien, J.-P, Stanfield, R.L, Ward, A.B, Wilson, I.A.
Deposit date:2015-08-18
Release date:2016-08-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Minimally Mutated HIV-1 Broadly Neutralizing Antibodies to Guide Reductionist Vaccine Design.
Plos Pathog., 12, 2016
6U1G
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BU of 6u1g by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, Mg2+ and Cs+
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CESIUM ION, D-ALANINE, ...
Authors:Pederick, J.L, Bruning, J.B.
Deposit date:2019-08-15
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
8XN6
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BU of 8xn6 by Molmil
The Crystal Structure of GSK3b from Biortus.
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Glycogen synthase kinase-3 beta, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Wu, B.
Deposit date:2023-12-29
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Crystal Structure of GSK3b from Biortus.
To Be Published
6OBH
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BU of 6obh by Molmil
Structure of HIV-1 CA 1/2-hexamer
Descriptor: CA, SODIUM ION
Authors:Summers, B.J, Xiong, Y.
Deposit date:2019-03-20
Release date:2019-08-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Modular HIV-1 Capsid Assemblies Reveal Diverse Host-Capsid Recognition Mechanisms.
Cell Host Microbe, 26, 2019
8VX0
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BU of 8vx0 by Molmil
CRYSTAL STRUCTURE OF CYP2C9*14 IN COMPLEX WITH LOSARTAN
Descriptor: Cytochrome P450 2C9, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Shah, M.B.
Deposit date:2024-02-02
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural and biophysical analysis of cytochrome P450 2C9*14 and *27 variants in complex with losartan.
J.Inorg.Biochem., 258, 2024
9CJ0
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BU of 9cj0 by Molmil
The High-Resolution Structure of a Variable Lymphocyte Receptor from Petrozymon marinus Capable of Binding to the Brain Extracellular Matrix
Descriptor: 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, SULFATE ION, Variable Lymphocyte Receptor
Authors:Appelt, E.A, Thoden, J.B, Shusta, E.V, Holden, H.M.
Deposit date:2024-07-05
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The High-Resolution Structure of a Variable Lymphocyte Receptor from Petrozymon marinus Capable of Binding to the Brain Extracellular Matrix
To Be Published

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