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7ASI
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BU of 7asi by Molmil
Fixed-target serial femtosecond crystallography using in cellulo grown Neurospora crassa HEX-1 microcrystals. (Chips 1+2)
Descriptor: eIF-5a domain-containing protein
Authors:Lahey-Rudolph, J.M, Schoenherr, R, Barthelmess, M, Fischer, P, Seuring, C, Wagner, A, Meents, A, Redecke, L.
Deposit date:2020-10-27
Release date:2021-06-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:Fixed-target serial femtosecond crystallography using in cellulo grown microcrystals.
Iucrj, 8, 2021
6FLC
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BU of 6flc by Molmil
2C8 Fab bound to EDIII of DenV 2
Descriptor: Domain III of Dengue virus 2, GLYCEROL, Heavy chain of 2C8 Fab, ...
Authors:Flanagan, A, Renner, M, Grimes, J.M.
Deposit date:2018-01-25
Release date:2018-10-24
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of a potent and highly unusual minimally enhancing antibody directed against dengue virus.
Nat. Immunol., 19, 2018
7SIY
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BU of 7siy by Molmil
cCBL TKB domain in complex with pZAP70 peptide
Descriptor: E3 ubiquitin-protein ligase CBL, MAGNESIUM ION, Peptide from Tyrosine-protein kinase ZAP-70
Authors:Murray, J.M, Yu, C.
Deposit date:2021-10-15
Release date:2022-11-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:cCBL TKB domain in complex with pZAP70 peptide
To Be Published
6FQ3
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BU of 6fq3 by Molmil
Crystal structure of Danio rerio Lin41 filamin-NHL domains in complex with lin-29A 5'UTR 13mer RNA
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase TRIM71, RNA (5'-R(*GP*GP*AP*GP*UP*CP*CP*AP*AP*CP*UP*CP*C)-3')
Authors:Kumari, P, Aeschimann, F, Gaidatzis, D, Keusch, J.J, Ghosh, P, Neagu, A, Pachulska-Wieczorek, K, Bujnicki, J.M, Gut, H, Grosshans, H, Ciosk, R.
Deposit date:2018-02-13
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Evolutionary plasticity of the NHL domain underlies distinct solutions to RNA recognition.
Nat Commun, 9, 2018
7APW
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BU of 7apw by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor: (1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Voll, A.M, Kolos, J.M, Pomplun, S, Riess, B, Purder, P, Merz, S, Bracher, A, Meyners, C, Krewald, V, Hausch, F.
Deposit date:2020-10-20
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Chem Sci, 12, 2021
6FVU
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BU of 6fvu by Molmil
26S proteasome, s2 state
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ...
Authors:Eisele, M.R, Reed, R.G, Rudack, T, Schweitzer, A, Beck, F, Nagy, I, Pfeifer, G, Plitzko, J.M, Baumeister, W, Tomko, R.J, Sakata, E.
Deposit date:2018-03-05
Release date:2018-08-22
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Expanded Coverage of the 26S Proteasome Conformational Landscape Reveals Mechanisms of Peptidase Gating.
Cell Rep, 24, 2018
7TFM
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BU of 7tfm by Molmil
Atomic Structure of the Leishmania spp. Hsp100 N-Domain
Descriptor: ATP-dependent Clp protease subunit, heat shock protein 100 (HSP100), GLYCEROL
Authors:Mercado, J.M, Lee, S, Chang, C, Sung, N, Soong, L, Catic, A, Tsai, F.T.F.
Deposit date:2022-01-06
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.055 Å)
Cite:Atomic structure of the Leishmania spp. Hsp100 N-domain.
Proteins, 90, 2022
6VVG
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BU of 6vvg by Molmil
Structure of the Cydia pomonella Granulovirus kinase, PK-1
Descriptor: ADENOSINE MONOPHOSPHATE, Arginine kinase
Authors:Oliver, M.R, Horne, C.R, Keown, J.R, Murphy, J.M, Metcalf, P.
Deposit date:2020-02-17
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Granulovirus PK-1 kinase activity relies on a side-to-side dimerization mode centered on the regulatory alpha C helix.
Nat Commun, 12, 2021
5JES
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BU of 5jes by Molmil
Human carbonic anhydrase II (V121T) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-18
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.205 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
1GUW
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BU of 1guw by Molmil
STRUCTURE OF THE CHROMODOMAIN FROM MOUSE HP1beta IN COMPLEX WITH THE LYSINE 9-METHYL HISTONE H3 N-TERMINAL PEPTIDE, NMR, 25 STRUCTURES
Descriptor: CHROMOBOX PROTEIN HOMOLOG 1, HISTONE H3.1
Authors:Nielsen, P.R, Nietlispach, D, Mott, H.R, Callaghan, J.M, Bannister, A, Kouzarides, T, Murzin, A.G, Murzina, N.V, Laue, E.D.
Deposit date:2002-02-01
Release date:2002-03-12
Last modified:2018-01-17
Method:SOLUTION NMR
Cite:Structure of the Hp1 Chromodomain Bound to Histone H3 Methylated at Lysine 9
Nature, 416, 2002
5JHQ
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BU of 5jhq by Molmil
ARCs 1-3 of human Tankyrase-1 bound to a peptide derived from IRAP
Descriptor: Peptide derived from insulin-responsive aminopeptidase (IRAP), Tankyrase-1
Authors:Eisemann, T, Pascal, J.M.
Deposit date:2016-04-21
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Tankyrase-1 Ankyrin Repeats Form an Adaptable Binding Platform for Targets of ADP-Ribose Modification.
Structure, 24, 2016
6VIN
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BU of 6vin by Molmil
Crystallographic structure of the circularly permuted human Taspase1 protein
Descriptor: Threonine aspartase 1
Authors:Martin-Garcia, J.M, Fromme, P.
Deposit date:2020-01-13
Release date:2021-01-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural insights into the function of the catalytically active human Taspase1.
Structure, 29, 2021
5JJK
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BU of 5jjk by Molmil
Rho transcription termination factor bound to rA7 and 6 ADP-BeF3 molecules
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
Authors:Thomsen, N.D, Lawson, M.R, Witkowsky, L.B, Qu, S, Berger, J.M.
Deposit date:2016-04-24
Release date:2016-11-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Molecular mechanisms of substrate-controlled ring dynamics and substepping in a nucleic acid-dependent hexameric motor.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5IUW
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BU of 5iuw by Molmil
Crystal Structure of Indole-3-acetaldehyde Dehydrogenase in complexed with NAD+ and IAA
Descriptor: 1H-INDOL-3-YLACETIC ACID, Aldehyde dehydrogenase family protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Lee, S.G, McClerklin, S, Kunkel, B, Jez, J.M.
Deposit date:2016-03-18
Release date:2017-10-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Indole-3-acetaldehyde dehydrogenase-dependent auxin synthesis contributes to virulence of Pseudomonas syringae strain DC3000.
PLoS Pathog., 14, 2018
6VLM
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BU of 6vlm by Molmil
Core Catalytic Domain of HIV Integrase in complex with virtual screening hit
Descriptor: Integrase, [3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
Authors:Klein, D.J, Sanders, J.M.
Deposit date:2020-01-24
Release date:2020-05-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
1H5W
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BU of 1h5w by Molmil
2.1A Bacteriophage Phi-29 Connector
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, UPPER COLLAR PROTEIN
Authors:Guasch, A, Pous, J, Ibarra, B, Gomis-Ruth, F.X, Valpuesta, J.M, Sousa, N, Carrascosa, J.L, Coll, M.
Deposit date:2001-05-28
Release date:2002-02-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Detailed Architecture of a DNA Translocating Machine: The High-Resolution Structure of the Bacteriophage Phi29 Connector Particle.
J.Mol.Biol., 315, 2002
6W1K
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BU of 6w1k by Molmil
Crystal structure of the hydroxyglutarate synthase in complex with 2-oxoadipate from Oryza sativa
Descriptor: 2-OXOADIPIC ACID, Hydroxyglutarate synthase, NICKEL (II) ION, ...
Authors:Pereira, J.H, Thompson, M.G, Blake-Hedges, J.M, Keasling, J.D, Adams, P.D.
Deposit date:2020-03-04
Release date:2020-06-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An iron (II) dependent oxygenase performs the last missing step of plant lysine catabolism.
Nat Commun, 11, 2020
5J34
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BU of 5j34 by Molmil
Isopropylmalate dehydrogenase K232M mutant
Descriptor: 3-isopropylmalate dehydrogenase 2, chloroplastic, MAGNESIUM ION, ...
Authors:Lee, S.G, Jez, J.M.
Deposit date:2016-03-30
Release date:2016-05-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.827 Å)
Cite:Structure and Mechanism of Isopropylmalate Dehydrogenase from Arabidopsis thaliana: INSIGHTS ON LEUCINE AND ALIPHATIC GLUCOSINOLATE BIOSYNTHESIS.
J.Biol.Chem., 291, 2016
5IXA
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BU of 5ixa by Molmil
HCMV DNA polymerase processivity subunit UL44 at neutral pH and low salt
Descriptor: DNA polymerase processivity factor
Authors:Chen, H, Coen, D.M, Hogle, J.M, Filman, D.J.
Deposit date:2016-03-23
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.684 Å)
Cite:A Small Covalent Allosteric Inhibitor of Human Cytomegalovirus DNA Polymerase Subunit Interactions.
ACS Infect Dis, 3, 2017
1HA4
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BU of 1ha4 by Molmil
GammaS crystallin C terminal domain from Homo Sapiens
Descriptor: GAMMA CRYSTALLIN S
Authors:Purkiss, A.G, Slingsby, C, Bateman, O.A, Goodfellow, J.M.
Deposit date:2001-03-27
Release date:2001-11-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The X-Ray Crystal Structure of Human Gamma S-Crystallin C-Terminal Domain
J.Biol.Chem., 277, 2002
6VJL
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BU of 6vjl by Molmil
Streptavidin mutant M112 (G26C/A46C)
Descriptor: BIOTIN, Streptavidin
Authors:Marangoni, J.M, Wu, S.C, Fogen, D, Wong, S.L, Ng, K.K.S.
Deposit date:2020-01-16
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Engineering a disulfide-gated switch in streptavidin enables reversible binding without sacrificing binding affinity.
Sci Rep, 10, 2020
5J04
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BU of 5j04 by Molmil
Crystal structure of Enolase from Synechococcus elongatus, complex with phosphoenolpyruvate
Descriptor: ACETATE ION, CALCIUM ION, Enolase, ...
Authors:Gonzalez, J.M.
Deposit date:2016-03-26
Release date:2016-04-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of Synechococcus elongatus enolase reveals key aspects of phosphoenolpyruvate binding
Acta Crystallogr.,Sect.F, F78, 2022
5JEG
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BU of 5jeg by Molmil
Human carbonic anhydrase II (V121I) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-18
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5JEP
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BU of 5jep by Molmil
Human carbonic anhydrase II (T199S) complexed with benzo[d]thiazole-2-sulfonamide
Descriptor: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M.
Deposit date:2016-04-18
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5J4I
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BU of 5j4i by Molmil
Crystal Structure of the L-arginine/agmatine antiporter from E. coli at 2.2 Angstroem resolution
Descriptor: Arginine/agmatine antiporter
Authors:Jeckelmann, J.M, Ilgue, H, Fotiadis, D.
Deposit date:2016-04-01
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.207 Å)
Cite:Insights into the molecular basis for substrate binding and specificity of the wild-type L-arginine/agmatine antiporter AdiC.
Proc.Natl.Acad.Sci.USA, 113, 2016

223532

數據於2024-08-07公開中

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