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8PYO
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BU of 8pyo by Molmil
5 micrometer HEWL crystals solved at room-temperature using fixed-target serial crystallography.
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Mason, T.J, Carrillo, M, Beale, J.H, Padeste, C.
Deposit date:2023-07-25
Release date:2023-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Micro-structured polymer fixed targets for serial crystallography at synchrotrons and XFELs.
Iucrj, 10, 2023
8PYP
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BU of 8pyp by Molmil
25 micrometer HEWL crystals solved at room-temperature using fixed-target serial crystallography.
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Mason, T.J, Carrillo, M, Beale, J.H, Padeste, C.
Deposit date:2023-07-25
Release date:2023-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Micro-structured polymer fixed targets for serial crystallography at synchrotrons and XFELs.
Iucrj, 10, 2023
1FOQ
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BU of 1foq by Molmil
PENTAMERIC MODEL OF THE BACTERIOPHAGE PHI29 PROHEAD RNA
Descriptor: BACTERIOPHAGE PHI29 PROHEAD RNA
Authors:Simpson, A.A, Tao, Y, Leiman, P.G, Badasso, M.O, He, Y, Jardine, P.J, Olson, N.H, Morais, M.C, Grimes, S, Anderson, D.L, Baker, T.S, Rossmann, M.G.
Deposit date:2000-08-28
Release date:2000-12-22
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Structure of the bacteriophage phi29 DNA packaging motor.
Nature, 408, 2000
4XAS
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BU of 4xas by Molmil
mGluR2 ECD ligand complex
Descriptor: (1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid, Metabotropic glutamate receptor 2
Authors:Clawson, D.K.
Deposit date:2014-12-15
Release date:2015-02-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
6JFV
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BU of 6jfv by Molmil
The crystal structure of 2B-2B complex from keratins 5 and 14 (C367A mutant of K14)
Descriptor: Keratin, type I cytoskeletal 14, type II cytoskeletal 5
Authors:Kim, M.S, Lee, C.H, Coulombe, P.A, Leahy, D.J.
Deposit date:2019-02-12
Release date:2020-01-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Function Analyses of a Keratin Heterotypic Complex Identify Specific Keratin Regions Involved in Intermediate Filament Assembly.
Structure, 28, 2020
7N60
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BU of 7n60 by Molmil
The crystal structure of 4-methoxybenzoate-bound CYP199A S244D mutant
Descriptor: 4-METHOXYBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ...
Authors:Lau, I.C.K, Coleman, T, Bell, S.G, Bruning, J.B.
Deposit date:2021-06-07
Release date:2022-06-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:The crystal structure of 4-methoxybenzoate-bound CYP199A S244D mutant
To Be Published
4XFH
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BU of 4xfh by Molmil
cysteine dioxygenase variant - Y157F at pH 6.2 with cysteine
Descriptor: CYSTEINE, Cysteine dioxygenase type 1, FE (III) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-26
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
4XGX
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BU of 4xgx by Molmil
Crystal structure of Escherichia coli Flavin trafficking protein, an FMN transferase, Y60N mutant, ADP-inhibited
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, FAD:protein FMN transferase, ...
Authors:Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V.
Deposit date:2015-01-02
Release date:2015-12-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular insights into the enzymatic diversity of flavin-trafficking protein (Ftp; formerly ApbE) in flavoprotein biogenesis in the bacterial periplasm.
Microbiologyopen, 5, 2016
4XIO
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BU of 4xio by Molmil
Crystal structure of apo NanB sialidase from streptococcus pneumoniae at pH 8.0 with MPD as the cryoprotectant
Descriptor: Sialidase B
Authors:Brear, P.
Deposit date:2015-01-07
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XJU
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BU of 4xju by Molmil
Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 4-acetamido-2-fluoro-3-hydroxy-6-[1,2-dihydroxyethyl]-7,8-dioxabicyclo[3.2.1]octane-1-carboxylic acid
Descriptor: (1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Brear, P.
Deposit date:2015-01-09
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:`The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
8Q3O
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BU of 8q3o by Molmil
Bacterial transcription termination factor Rho + pppGpp
Descriptor: MAGNESIUM ION, Transcription termination factor Rho, guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate)
Authors:Said, N, Hilal, T, Wahl, M.C.
Deposit date:2023-08-04
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Transcription termination factor rho polymerizes under stress.
Biorxiv, 2023
1HU0
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BU of 1hu0 by Molmil
CRYSTAL STRUCTURE OF AN HOGG1-DNA BOROHYDRIDE TRAPPED INTERMEDIATE COMPLEX
Descriptor: 5'-D(*GP*CP*GP*TP*CP*CP*AP*(PED)P*GP*TP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 8-OXOGUANINE, ...
Authors:Fromme, J.C, Bruner, S.D, Yang, W, Karplus, M, Verdine, G.L.
Deposit date:2001-01-03
Release date:2003-02-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Product-Assisted Catalysis in base-excision DNA Repair
Nat.Struct.Biol., 10, 2003
4XN6
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BU of 4xn6 by Molmil
Crystal structure at room temperature of hen-egg lysozyme in complex with benzamidine
Descriptor: BENZAMIDINE, Lysozyme C
Authors:Gelin, M, Allemand, F, Labesse, G, Guichou, J.F.
Deposit date:2015-01-15
Release date:2015-08-12
Last modified:2021-08-04
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
8Q3Q
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BU of 8q3q by Molmil
Bacterial transcription termination factor Rho G152D mutant
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transcription termination factor Rho
Authors:Said, N, Hilal, T, Wahl, M.C.
Deposit date:2023-08-04
Release date:2023-09-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Transcription termination factor rho polymerizes under stress.
Biorxiv, 2023
4XNN
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BU of 4xnn by Molmil
Crystal Structure of a GH7 Family Cellobiohydrolase from Daphnia pulex
Descriptor: Cellobiohydrolase CHBI, GLYCEROL
Authors:Ebrahim, A, Hobdey, S.E, Podkaminer, K, Taylor II, L.E, Beckham, G.T, Decker, S.R, Himmel, M.E, Cragg, S.M, McGeehan, J.E.
Deposit date:2015-01-15
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Characterization of a GH7 Family Cellobiohydrolase from Daphnia pulex
To Be Published
8Q3N
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BU of 8q3n by Molmil
Bacterial transcription termination factor Rho + ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transcription termination factor Rho
Authors:Said, N, Hilal, T, Wahl, M.C.
Deposit date:2023-08-04
Release date:2023-09-27
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:Transcription termination factor rho polymerizes under stress.
Biorxiv, 2023
7N6F
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BU of 7n6f by Molmil
Co-complex CYP46A1 with compound 3f
Descriptor: (3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone, 1,2-ETHANEDIOL, Cholesterol 24-hydroxylase, ...
Authors:Lane, W, Gay, S.C.
Deposit date:2021-06-08
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design and synthesis of aryl-piperidine derivatives as potent and selective PET tracers for cholesterol 24-hydroxylase (CH24H)
Eur.J.Med.Chem., 240, 2022
8Q3P
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BU of 8q3p by Molmil
Bacterial transcription termination factor Rho G150D mutant
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transcription termination factor Rho
Authors:Said, N, Hilal, T, Wahl, M.C.
Deposit date:2023-08-04
Release date:2023-09-27
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Transcription termination factor rho polymerizes under stress.
Biorxiv, 2023
8W6X
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BU of 8w6x by Molmil
Neutron structure of [NiFe]-hydrogenase from D. vulgaris Miyazaki F in its oxidized state
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FE3-S4 CLUSTER, ...
Authors:Hiromoto, T, Tamada, T.
Deposit date:2023-08-30
Release date:2023-09-13
Last modified:2023-11-15
Method:NEUTRON DIFFRACTION (1.04 Å), X-RAY DIFFRACTION
Cite:New insights into the oxidation process from neutron and X-ray crystal structures of an O 2 -sensitive [NiFe]-hydrogenase.
Chem Sci, 14, 2023
8WFU
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BU of 8wfu by Molmil
Crystal structure of beta-glucosidase from Thermoanaerobacterium saccharolyticum (Data 2)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase, SODIUM ION
Authors:Nam, K.H.
Deposit date:2023-09-20
Release date:2023-10-04
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Conformational Change of the L3 Loop Affects the Structural Changes in the Substrate Binding Pocket Entrance of beta-Glucosidase.
Molecules, 28, 2023
8WDI
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BU of 8wdi by Molmil
Crystal structure of lysozyme by fixed-target pink-beam serial synchrotron crystallography
Descriptor: CHLORIDE ION, Lysozyme C
Authors:Nam, K.H.
Deposit date:2023-09-15
Release date:2023-10-04
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fixed-Target Pink-Beam Serial Synchrotron Crystallography at Pohang Light Source II.
Crystals, 13, 2023
4XWN
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BU of 4xwn by Molmil
Complex structure of catalytic domain of Clostridium Cellulovorans Exgs and Cellotetraose
Descriptor: CALCIUM ION, Exoglucanase S, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
Authors:Liaw, Y.-C.
Deposit date:2015-01-29
Release date:2015-10-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.884 Å)
Cite:Structures of exoglucanase from Clostridium cellulovorans: cellotetraose binding and cleavage
Acta Crystallogr.,Sect.F, 71, 2015
8WFW
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BU of 8wfw by Molmil
Crystal structure of beta-glucosidase from Thermoanaerobacterium saccharolyticum (Data 4)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase, SODIUM ION
Authors:Nam, K.H.
Deposit date:2023-09-20
Release date:2023-10-04
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:The Conformational Change of the L3 Loop Affects the Structural Changes in the Substrate Binding Pocket Entrance of beta-Glucosidase.
Molecules, 28, 2023
4XD5
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BU of 4xd5 by Molmil
Phosphotriesterase variant R2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R2, ...
Authors:Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J.
Deposit date:2014-12-19
Release date:2015-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
8WFT
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BU of 8wft by Molmil
Crystal structure of beta-glucosidase from Thermoanaerobacterium saccharolyticum (Data 1)
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucosidase, ...
Authors:Nam, K.H.
Deposit date:2023-09-20
Release date:2023-10-04
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Conformational Change of the L3 Loop Affects the Structural Changes in the Substrate Binding Pocket Entrance of beta-Glucosidase.
Molecules, 28, 2023

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