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5DZV
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BU of 5dzv by Molmil
Protocadherin alpha 7 extracellular cadherin domains 1-5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein Pcdha7, ...
Authors:Goodman, K.M, Bahna, F, Honig, B, Shapiro, L.
Deposit date:2015-09-26
Release date:2016-05-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins.
Neuron, 90, 2016
5E0M
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BU of 5e0m by Molmil
LC8 - Chica (468-476) Complex
Descriptor: Dynein light chain 1, cytoplasmic, Protein Chica peptide, ...
Authors:Clark, S.A, Barbar, E.B, Karplus, P.A.
Deposit date:2015-09-29
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Anchored Flexibility Model in LC8 Motif Recognition: Insights from the Chica Complex.
Biochemistry, 55, 2016
8PAC
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BU of 8pac by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2553
Descriptor: 7-[(1~{S})-1-[4-(aminomethyl)phenyl]carbonyloxyethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-07
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2553
To Be Published
5LYP
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BU of 5lyp by Molmil
Crystal structure of the Tpr Domain of Sgt2.
Descriptor: BORATE ION, Small glutamine-rich tetratricopeptide repeat-containing protein 2
Authors:Krysztofinska, E.M, Morgan, R.M.L, Thapaliya, A, Evans, N.J, Murray, J.W, Martinez-Lumbreras, S, Isaacson, R.L.
Deposit date:2016-09-28
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure and Interactions of the TPR Domain of Sgt2 with Yeast Chaperones and Ybr137wp.
Front Mol Biosci, 4, 2017
8PB0
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BU of 8pb0 by Molmil
Crystal structure of the metallo-beta-lactamase VIM1 with 2696
Descriptor: 7-[(1~{S})-1-[4-[[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]methyl]-1,2,3-triazol-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J.
Deposit date:2023-06-08
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystal structure of the metallo-beta-lactamase VIM1 with 2696
To Be Published
5E01
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BU of 5e01 by Molmil
Crystal structure of HiNmlR, a MerR family regulator lacking the sensor domain, bound to palyndromic promoter DNA
Descriptor: 5'-D(*CP*TP*TP*AP*GP*AP*GP*TP*GP*CP*AP*CP*TP*CP*TP*AP*AP*G)-3', Uncharacterized HTH-type transcriptional regulator HI_0186
Authors:Counago, R.M, Chang, C.W, Chen, N.H, Djoko, K.Y, McEwan, A.G, Kobe, B.
Deposit date:2015-09-26
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of thiol-based regulation of formaldehyde detoxification in H. influenzae by a MerR regulator with no sensor region.
Nucleic Acids Res., 44, 2016
8PC4
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BU of 8pc4 by Molmil
MEMBRANE TARGET COMPLEX 1
Descriptor: (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, ...
Authors:Garau, G.
Deposit date:2023-06-09
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:MEMBRANE TARGET COMPLEX 1
To Be Published
5VCB
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BU of 5vcb by Molmil
Crystal structure of holo-(acyl-carrier-protein) synthase:holo(acyl-carrier-protein) complex from Escherichia Coli.
Descriptor: 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, Holo-[acyl-carrier-protein] synthase
Authors:Marcella, A.M, Barb, A.W.
Deposit date:2017-03-31
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Structure, High Affinity, and Negative Cooperativity of the Escherichia coli Holo-(Acyl Carrier Protein):Holo-(Acyl Carrier Protein) Synthase Complex.
J. Mol. Biol., 429, 2017
5E0C
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BU of 5e0c by Molmil
Structural Insight of a Trimodular Halophilic Cellulase with a Family 46 Carbohydrate-Binding Module
Descriptor: Cellulase
Authors:Zhang, H.D, Zhang, H.J.
Deposit date:2015-09-28
Release date:2016-10-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Structural Insight of a Trimodular Halophilic Cellulase with a Family 46 Carbohydrate-Binding Module
To Be Published
6NI9
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BU of 6ni9 by Molmil
Pseudomonas fluorescens isocyanide hydratase at 274 K qFit multiconformer model
Descriptor: Isonitrile hydratase InhA
Authors:Wilson, M.A, Dasgupta, M, van den Bedem, H.
Deposit date:2018-12-26
Release date:2019-11-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
5UJ6
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BU of 5uj6 by Molmil
Crystal Structure of Bacteroides Uniformis beta-glucuronidase
Descriptor: CALCIUM ION, GLYCEROL, Glycosyl hydrolases family 2, ...
Authors:Walton, W.G, Redinbo, M.R.
Deposit date:2017-01-17
Release date:2017-06-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An Atlas of beta-Glucuronidases in the Human Intestinal Microbiome.
Structure, 25, 2017
5M00
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BU of 5m00 by Molmil
Crystal structure of murine P14 TCR complex with H-2Db and Y4A, modified gp33 peptide from LCMV
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ...
Authors:Achour, A, Sandalova, T, Sun, R, Han, X.
Deposit date:2016-10-03
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Thernary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
To Be Published
5E1B
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BU of 5e1b by Molmil
Crystal structure of NRMT1 in complex with SPKRIA peptide
Descriptor: GLYCEROL, N-terminal Xaa-Pro-Lys N-methyltransferase 1, RCC1, ...
Authors:Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2015-09-29
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for substrate recognition by the human N-terminal methyltransferase 1.
Genes Dev., 29, 2015
6NEG
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BU of 6neg by Molmil
N191D, F205S mutant of scoulerine-9-O methyltransferase from Thalictrum flavum complexed with S-ADENOSYL-L-HOMOCYSTEINE
Descriptor: (S)-scoulerine 9-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Valentic, T.R, Smolke, C.D, Payne, J.T.
Deposit date:2018-12-17
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and functional characterization of the scoulerine 9-O methyltransferase from Thalictrum flavum.
To Be Published
8DJU
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BU of 8dju by Molmil
Cytosolic ascorbate peroxidase from Sorghum bicolor - bicyclic dehydroascorbic acid complex
Descriptor: (3aS,6S,6aR)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name), L-ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Zhang, B, Kang, C.
Deposit date:2022-07-01
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A sorghum ascorbate peroxidase with four binding sites has activity against ascorbate and phenylpropanoids.
Plant Physiol., 192, 2023
5M01
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BU of 5m01 by Molmil
Crystal structure of murine P14 TCR/ H-2Db complex with PA, modified gp33 peptide from LCMV
Descriptor: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
Authors:Achour, A, Sandalova, T, Sun, R, Han, X.
Deposit date:2016-10-03
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Thernary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
To Be Published
5M02
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BU of 5m02 by Molmil
Crystal structure of murine P14 TCR / H-2Db with PF, modified gp33 peptide from LCMV
Descriptor: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
Authors:Achour, A, Sandalova, T, Sun, R.
Deposit date:2016-10-03
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Thernary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
To Be Published
6NEP
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BU of 6nep by Molmil
Structure of human PACRG-MEIG1 complex
Descriptor: CHLORIDE ION, Meiosis expressed gene 1 protein homolog, PHOSPHATE ION, ...
Authors:Khan, N, Croteau, N, Pelletier, D, Veyron, S, Trempe, J.F.
Deposit date:2018-12-18
Release date:2019-10-23
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.097625 Å)
Cite:Crystal structure of human PACRG in complex with MEIG1
Biorxiv, 2019
8D19
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BU of 8d19 by Molmil
Human LanCL1 bound to GSH
Descriptor: GLUTATHIONE, Glutathione S-transferase LANCL1, ZINC ION
Authors:Ongpipattanakul, C, Nair, S.K.
Deposit date:2022-05-26
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The mechanism of thia-Michael addition catalyzed by LanC enzymes.
Proc.Natl.Acad.Sci.USA, 120, 2023
5M03
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BU of 5m03 by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-noeuromycin and 1,2-alpha-mannobiose
Descriptor: (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-10-03
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
6NIW
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BU of 6niw by Molmil
Crystal structure of P[6] rotavirus
Descriptor: DI(HYDROXYETHYL)ETHER, Protease-sensitive outer capsid protein
Authors:Xu, S, Liu, Y, Lakamp, L, Ahmed, L, Jiang, X, Kennedy, M.A.
Deposit date:2019-01-01
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Molecular basis of P[II] major human rotavirus VP8* domain recognition of histo-blood group antigens.
Plos Pathog., 16, 2020
5UNZ
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BU of 5unz by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile
Descriptor: 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-01-31
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
6NJ5
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BU of 6nj5 by Molmil
Thermostable variant of human carbonic anhydrase II with disordered tetrazine 2.0 at site 233
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Kean, K.M, Karplus, P.A.
Deposit date:2019-01-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Immobilization of Proteins with Controlled Load and Orientation.
ACS Appl Mater Interfaces, 11, 2019
7WOL
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BU of 7wol by Molmil
Crystal structure of lipase TrLipB from Thermomocrobium roseum
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Zhang, L, Fang, Y, Shi, Y, Gu, Z, Xin, Y.
Deposit date:2022-01-21
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of lipase TrLipB from Thermomocrobium roseum
To Be Published
5UOC
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BU of 5uoc by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with (S)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2017-01-31
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017

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数据于2024-10-02公开中

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