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6Y3U
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BU of 6y3u by Molmil
Crystal structure of PPARgamma in complex with compound (R)-16
Descriptor: (2~{R})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Chaikuad, A, Hanke, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-02-18
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:A Selective Modulator of Peroxisome Proliferator-Activated Receptor gamma with an Unprecedented Binding Mode.
J.Med.Chem., 63, 2020
6F33
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BU of 6f33 by Molmil
Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with AMPNPP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, ...
Authors:Dohler, C, Zebisch, M, Strater, N.
Deposit date:2017-11-27
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Sci Rep, 8, 2018
7L67
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BU of 7l67 by Molmil
C-type carbohydrate-recognition domain 4 of the mannose receptor complexed with Fuc-(alpha1-3)-GlcNAc
Descriptor: CALCIUM ION, Macrophage mannose receptor 1, alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Weis, W.I, Feinberg, H.
Deposit date:2020-12-23
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural analysis of carbohydrate binding by the macrophage mannose receptor CD206.
J.Biol.Chem., 296, 2021
6Y7U
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BU of 6y7u by Molmil
Structure of Chloroflexus aggregans Cagg_3753 LOV domain C85A A95P variant (CagFbFP)
Descriptor: FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase
Authors:Remeeva, A, Nazarenko, V, Kovalev, K, Gordeliy, V, Gushchin, I.
Deposit date:2020-03-02
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Effects of Proline Substitutions on the Thermostable LOV Domain from Chloroflexus aggregans
Crystals, 2020
8QQH
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BU of 8qqh by Molmil
Structure of beta-galactosidase from Desulfurococcus amyloliticus
Descriptor: Beta-galactosidase
Authors:Samygina, V.R, Kil, Y, Sergeev, R.S, Rychkov, G.N.
Deposit date:2023-10-04
Release date:2024-08-14
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The archaeal highly thermostable GH35 family beta-galactosidase Da beta Gal has a unique seven domain protein fold.
Febs J., 291, 2024
6B7T
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BU of 6b7t by Molmil
Truncated strand 10-less green fluorescent protein
Descriptor: Green fluorescent protein,Green fluorescent protein
Authors:Deng, A, Boxer, S.G.
Deposit date:2017-10-05
Release date:2017-12-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural Insight into the Photochemistry of Split Green Fluorescent Proteins: A Unique Role for a His-Tag.
J. Am. Chem. Soc., 140, 2018
6PIC
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BU of 6pic by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 6-amino-N-hydroxyhexanamide
Descriptor: 6-amino-N-hydroxyhexanamide, Acetylpolyamine Amidohydrolase, MAGNESIUM ION, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-06-26
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.031 Å)
Cite:Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
6JCB
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BU of 6jcb by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in C2 space group
Descriptor: CrmG
Authors:Xu, J, Liu, J.
Deposit date:2019-01-28
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Commun Biol, 3, 2020
6Y42
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BU of 6y42 by Molmil
Crystal Structure of RsrR complexed to a 39 basepair DNA fragment of the rsrR promoter
Descriptor: DNA (39-MER), FE2/S2 (INORGANIC) CLUSTER, Rrf2 family transcriptional regulator
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2020-02-19
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Electron and Proton Transfers Modulate DNA Binding by the Transcription Regulator RsrR.
J.Am.Chem.Soc., 142, 2020
6B87
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BU of 6b87 by Molmil
Crystal structure of transmembrane protein TMHC2_E
Descriptor: TMHC2_E
Authors:Lu, P, DiMaio, F, Min, D, Wei, K.Y, Bowie, J, Baker, D.
Deposit date:2017-10-05
Release date:2018-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.947 Å)
Cite:Accurate computational design of multipass transmembrane proteins.
Science, 359, 2018
6Y8E
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BU of 6y8e by Molmil
14-3-3 Sigma in complex with phosphorylated MLF1 peptide
Descriptor: 14-3-3 protein sigma, ARG-SER-PHE-SEP-GLU-PRO-PHE-GLY, CALCIUM ION, ...
Authors:Ballone, A, Lau, R.A, Zweipfenning, F.P.A, Ottmann, C.
Deposit date:2020-03-04
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:A new soaking procedure for X-ray crystallographic structural determination of protein-peptide complexes.
Acta Crystallogr.,Sect.F, 76, 2020
6B8G
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BU of 6b8g by Molmil
Twice-Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid
Descriptor: CALCIUM ION, FE (III) ION, Ferritin heavy chain
Authors:Zhang, L, Bailey, J.B, Subramanian, R, Tezcan, F.A.
Deposit date:2017-10-07
Release date:2018-05-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Hyperexpandable, self-healing macromolecular crystals with integrated polymer networks.
Nature, 557, 2018
5UIV
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BU of 5uiv by Molmil
Structure of Thymidylate Kinase from Candida albicans Reveals Origin of Broad Substrate Specificity and a Novel Structural Element.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Bifunctional thymidylate/uridylate kinase, MAGNESIUM ION, ...
Authors:Sinha, K, Rule, G.S.
Deposit date:2017-01-15
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The Structure of Thymidylate Kinase from Candida albicans Reveals a Unique Structural Element.
Biochemistry, 56, 2017
7ZIE
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BU of 7zie by Molmil
Gcf1p, multimerizes and bridges the mitochondrial DNA from Candida albicans by a specific mechanism.
Descriptor: 20-mer DNA, GLYCEROL, Gcf1p
Authors:Tarres-Sole, A, Sola, M.
Deposit date:2022-04-07
Release date:2023-06-14
Last modified:2024-06-19
Method:SOLUTION SCATTERING (2.9 Å), X-RAY DIFFRACTION
Cite:Gcf1p tetramerizes upon DNA binding, revealing a novel compaction method for mitochondrial DNA in Candida albicans.
Nucleic Acids Res., 2023
8A0Z
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BU of 8a0z by Molmil
Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and pyrimethamine
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Dihydrofolate reductase, ...
Authors:Kirkman, T.K, Dias, M.V.B.
Deposit date:2022-05-30
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of candida auris
To Be Published
7PR7
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BU of 7pr7 by Molmil
Crystal structure of human heparanase in complex with covalent inhibitor VL166
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wu, L, Armstrong, Z, Davies, G.J.
Deposit date:2021-09-21
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
6F5D
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BU of 6f5d by Molmil
Trypanosoma brucei F1-ATPase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP synthase gamma subunit, ATP synthase subunit alpha, ...
Authors:Montgomery, M.G, Gahura, O, Leslie, A.G.W, Zikova, A, Walker, J.E.
Deposit date:2017-12-01
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:ATP synthase fromTrypanosoma bruceihas an elaborated canonical F1-domain and conventional catalytic sites.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BDG
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BU of 6bdg by Molmil
HFQ monomer in spacegroup p6 at 1.93 angstrom resolution
Descriptor: RNA-binding protein Hfq
Authors:Brown, C, Zhang, K, Seo, C, Ellis, M.J, Hanniford, D.B, Junop, M.
Deposit date:2017-10-23
Release date:2017-11-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.964 Å)
Cite:HFQ monomer in spacegroup p6 at 1.93 angstrom resolution
To Be Published
6JDA
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BU of 6jda by Molmil
Crystal structure of N-acetyl mannosmaine kinase in complex with N-acetylmannosamine in Pasteurella multocida
Descriptor: 2-acetamido-2-deoxy-alpha-D-mannopyranose, GLYCEROL, N-acetylmannosamine kinase, ...
Authors:Thanuja, G, Ramaswamy, S.
Deposit date:2019-01-31
Release date:2020-02-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and Function of N‐Acetylmannosamine Kinases from Pathogenic Bacteria.
Acs Omega, 5, 2020
6FJ2
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BU of 6fj2 by Molmil
Structure of Thermolysin solved from SAD data collected at the peak of the Zn absorption edge on ID30B
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, LYSINE, ...
Authors:McCarthy, A.A, Mueller-Dieckmann, C.
Deposit date:2018-01-19
Release date:2018-01-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018
6Y8Q
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BU of 6y8q by Molmil
AbiEi antitoxin from Streptococcus agalactiae
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Abortive phage infection protein
Authors:Blower, T.R, Beck, I.N.
Deposit date:2020-03-05
Release date:2020-12-16
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Antitoxin autoregulation of M. tuberculosis toxin-antitoxin expression through negative cooperativity arising from multiple inverted repeat sequences.
Biochem.J., 477, 2020
6PL0
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BU of 6pl0 by Molmil
Crystal structure of the dark-adapted full-length bacteriophytochrome XccBphP from Xanthomonas campestris in the Pr state bound to BV chromophore
Descriptor: BILIVERDINE IX ALPHA, Bacteriophytochrome
Authors:Otero, L.H, Sirigu, S, Klinke, S, Goldbaum, F, Chavas, L, Rinaldi, J, Bonomi, H.R.
Deposit date:2019-06-30
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level.
Sci Adv, 7, 2021
6BDU
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BU of 6bdu by Molmil
Crystal structure of PprA from Deinococcus radiodurans
Descriptor: DNA repair protein PprA
Authors:Szabla, R, Czerwinski, M, Junop, M.S.
Deposit date:2017-10-24
Release date:2018-09-05
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of PprA from Deinococcus radiodurans
To Be Published
8A2F
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BU of 8a2f by Molmil
Crystal Structure of Ljunganvirus 1 2A protein
Descriptor: 2A protein
Authors:von Castelmur, E, Zhu, L, Wang, X, Fry, E, Ren, J, Perrakis, A, Stuart, D.I.
Deposit date:2022-06-03
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural plasticity of 2A proteins in the Parechovirus family
To Be Published
5GKM
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BU of 5gkm by Molmil
Crystal structure of the N-terminal Domain of Caseinolytic protease associated chaperone ClpD from Arabidopsis thaliana
Descriptor: AT5g51070/K3K7_27
Authors:Mohapatra, C, Vasudevan, D.
Deposit date:2016-07-04
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures reveal N-terminal Domain of Arabidopsis thaliana ClpD to be highly divergent from that of ClpC1.
Sci Rep, 7, 2017

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数据于2024-08-28公开中

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