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7NLU
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BU of 7nlu by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with 1-(1H-indol-3-yl)ethan-1-one
Descriptor: 1-(1~{H}-indol-3-yl)ethanone, Acetylglutamate kinase, SULFATE ION
Authors:Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
Deposit date:2021-02-22
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.235 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
4NB6
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BU of 4nb6 by Molmil
Crystal structure of the ligand binding domain of RORC with T0901317
Descriptor: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, Nuclear receptor ROR-gamma
Authors:Hymowitz, S.G, Boenig-de Leon, G.
Deposit date:2013-10-22
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure-based design of substituted hexafluoroisopropanol-arylsulfonamides as modulators of RORc.
Bioorg.Med.Chem.Lett., 23, 2013
7NN7
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BU of 7nn7 by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with dimethyl 5-hydroxyisophthalate.
Descriptor: 1,2-ETHANEDIOL, Acetylglutamate kinase, SULFATE ION, ...
Authors:Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
Deposit date:2021-02-24
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.172 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NNW
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BU of 7nnw by Molmil
Crystal structure of Mycobacterium tuberculosis ArgF in complex with methyl 4-hydroxy-3-iodobenzoate.
Descriptor: Ornithine carbamoyltransferase, PHOSPHATE ION, methyl 3-iodanyl-4-oxidanyl-benzoate
Authors:Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L.
Deposit date:2021-02-25
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
4N3V
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BU of 4n3v by Molmil
Crystal structure of a bile-acid 7-alpha dehydratase (CLOHIR_00079) from Clostridium hiranonis DSM 13275 at 1.89 A resolution with product added
Descriptor: 1,2-ETHANEDIOL, Bile acid 7-alpha dehydratase, BaiE, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-10-07
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of a bile-acid 7-alpha dehydratase (CLOHIR_00079) from Clostridium hiranonis DSM 13275 at 1.89 A resolution with product added
To be published
6B5G
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BU of 6b5g by Molmil
ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118)
Descriptor: (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
5Y5S
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BU of 5y5s by Molmil
Structure of photosynthetic LH1-RC super-complex at 1.9 angstrom resolution
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BACTERIOCHLOROPHYLL A, ...
Authors:Yu, L.-J, Suga, M, Wang-Otomo, Z.-Y, Shen, J.-R.
Deposit date:2017-08-09
Release date:2018-04-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of photosynthetic LH1-RC supercomplex at 1.9 angstrom resolution.
Nature, 556, 2018
7MYZ
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BU of 7myz by Molmil
Structure of the full length 5-TM receptor CD47 bound to Fab B6H12
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, B6H12 Fab heavy chain, B6H12 Fab light chain, ...
Authors:Fenalti, G, Villanueva, N.
Deposit date:2021-05-22
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of the human marker of self 5-transmembrane receptor CD47.
Nat Commun, 12, 2021
6B5I
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BU of 6b5i by Molmil
ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
Descriptor: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
7DWA
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BU of 7dwa by Molmil
Structure of a novel beta-mannanase BaMan113A with mannotriose, N236Y mutation
Descriptor: Endo-beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose
Authors:Liu, W.T, Liu, W.D, Zheng, Y.Y.
Deposit date:2021-01-15
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Functional and structural investigation of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5.
Int.J.Biol.Macromol., 182, 2021
3A98
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BU of 3a98 by Molmil
Crystal structure of the complex of the interacting regions of DOCK2 and ELMO1
Descriptor: Dedicator of cytokinesis protein 2, Engulfment and cell motility protein 1
Authors:Hanawa-Suetsugu, K, Kukimoto-Niino, M, Sekine, S, Ito, T, Mishima-Tsumagari, C, Terada, T, Shirouzu, M, Fukui, Y, Yokoyama, S.
Deposit date:2009-10-21
Release date:2010-10-27
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for mutual relief of the Rac guanine nucleotide exchange factor DOCK2 and its partner ELMO1 from their autoinhibited forms.
Proc.Natl.Acad.Sci.USA, 109, 2012
3A8Y
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BU of 3a8y by Molmil
Crystal structure of the complex between the BAG5 BD5 and Hsp70 NBD
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG family molecular chaperone regulator 5, Heat shock 70 kDa protein 1
Authors:Arakawa, A, Handa, N, Ohsawa, N, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2009-10-13
Release date:2010-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The C-terminal BAG domain of BAG5 induces conformational changes of the Hsp70 nucleotide-binding domain for ADP-ATP exchange
Structure, 18, 2010
5YDI
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BU of 5ydi by Molmil
Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector anopheles gambiae, new crystal packing
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, GLYCEROL, ...
Authors:Han, Q, Guan, H, Ding, H, Liao, C, Robinson, H, Li, J.
Deposit date:2017-09-13
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Crystal structures of acetylcholinesterase of the malaria vector Anopheles gambiae reveal a polymerization interface, ligand binding residues and post translational modifications
To Be Published
7N8O
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BU of 7n8o by Molmil
High-resolution structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803
Descriptor: (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Gisriel, C.J, Brudvig, G.W.
Deposit date:2021-06-15
Release date:2021-12-29
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (1.93 Å)
Cite:High-resolution cryo-electron microscopy structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803.
Proc.Natl.Acad.Sci.USA, 119, 2022
6BKP
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BU of 6bkp by Molmil
Crystal structure of the A/Michigan/15/2014 (H3N2) influenza virus hemagglutinin apo form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2017-11-09
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A complex epistatic network limits the mutational reversibility in the influenza hemagglutinin receptor-binding site.
Nat Commun, 9, 2018
5YDH
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BU of 5ydh by Molmil
Crystal structure of acetylcholinesterase catalytic subunits of the malaria vector anopheles gambiae, 3.2 A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Acetylcholinesterase, ...
Authors:Han, Q, Guan, H, Robinson, H, Ding, H, Liao, C, Li, J.
Deposit date:2017-09-13
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Crystal structures of acetylcholinesterase of the malaria vector Anopheles gambiae reveal a polymerization interface, ligand binding residues and post translational modifications
To Be Published
7NEM
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BU of 7nem by Molmil
Hydrogenase-2 variant R479K - anaerobically oxidised form
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
Authors:Carr, S.B.
Deposit date:2021-02-04
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A comprehensive structural and kinetic investigation of the role of the active-site argininein bidirectional hydrogen activation by the [NiFe]-hydrogenase "Hyd-2) from Escherichia coli
To Be Published
2OH4
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BU of 2oh4 by Molmil
Crystal structure of Vegfr2 with a benzimidazole-urea inhibitor
Descriptor: METHYL (5-{4-[({[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-1H-BENZIMIDAZOL-2-YL)CARBAMATE, SULFATE ION, Vascular endothelial growth factor receptor 2
Authors:Nolte, R.T, Wang, L.
Deposit date:2007-01-09
Release date:2007-09-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Novel Benzimidazoles as Potent Inhibitors of TIE-2 and VEGFR-2 Tyrosine Kinase Receptors.
J.Med.Chem., 50, 2007
2IG6
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BU of 2ig6 by Molmil
Crystal structure of a nimc/nima family protein (ca_c2569) from clostridium acetobutylicum at 1.80 A resolution
Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NimC/NimA family protein, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-09-22
Release date:2006-10-10
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of NimC/NimA family protein (NP_349178.1) from Clostridium Acetobutylicum at 1.80 A resolution
To be published
4NZK
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BU of 4nzk by Molmil
Crystal structure of a DHHW family protein (EUBSIR_00411) from Eubacterium siraeum DSM 15702 at 1.49 A resolution
Descriptor: 1,2-ETHANEDIOL, UNKNOWN LIGAND, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-12-12
Release date:2014-01-15
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Crystal structure of a hypothetical protein (EUBSIR_00411) from Eubacterium siraeum DSM 15702 at 1.49 A resolution
To be published
7DW8
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BU of 7dw8 by Molmil
Structure of a novel beta-mannanase BaMan113A with mannobiose, N236Y mutation.
Descriptor: Endo-beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose
Authors:Liu, W.T, Liu, W.D, Zheng, Y.Y.
Deposit date:2021-01-15
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Functional and structural investigation of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5.
Int.J.Biol.Macromol., 182, 2021
7DVZ
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BU of 7dvz by Molmil
Structure of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5, N236Y mutation.
Descriptor: Endo-beta-1,4-mannanase
Authors:Liu, W.T, Liu, W.D, Zheng, Y.Y.
Deposit date:2021-01-15
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional and structural investigation of a novel beta-mannanase BaMan113A from Bacillus sp. N16-5.
Int.J.Biol.Macromol., 182, 2021
6CGM
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BU of 6cgm by Molmil
X-ray crystal structure of Bacillus subtilis ribonucleotide reductase NrdE alpha subunit (nucleotide free)
Descriptor: 1,2-ETHANEDIOL, Ribonucleoside-diphosphate reductase
Authors:Maggiolo, A.O, Boal, A.K.
Deposit date:2018-02-20
Release date:2018-05-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:An endogenous dAMP ligand inBacillus subtilisclass Ib RNR promotes assembly of a noncanonical dimer for regulation by dATP.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1AKU
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BU of 1aku by Molmil
D95A HYDROQUINONE FLAVODOXIN MUTANT FROM D. VULGARIS
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN, SULFATE ION
Authors:Mccarthy, A, Walsh, M, Higgins, T.
Deposit date:1997-05-27
Release date:1998-12-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic investigation of the role of aspartate 95 in the modulation of the redox potentials of Desulfovibrio vulgaris flavodoxin.
Biochemistry, 41, 2002
7WKD
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BU of 7wkd by Molmil
TRH-TRHR G protein complex
Descriptor: Gq, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, Y, Cai, H, You, C, He, X, Yuan, Q, Jiang, H, Cheng, X, Jiang, Y, Xu, H.E.
Deposit date:2022-01-09
Release date:2022-06-15
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural insights into ligand binding and activation of the human thyrotropin-releasing hormone receptor.
Cell Res., 32, 2022

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數據於2024-10-09公開中

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