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8OEK
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BU of 8oek by Molmil
Crystal structure of the HormR-GAIN domains of adhesion GPCR ADGRB2 (BAI2) in the uncleaved state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Adhesion G protein-coupled receptor B2, CACODYLATE ION
Authors:Pohl, F, Strater, N.
Deposit date:2023-03-10
Release date:2023-05-31
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural basis of GAIN domain autoproteolysis and cleavage-resistance in the adhesion G-protein coupled receptors
To Be Published
8OEP
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BU of 8oep by Molmil
Crystal structure of the PTPN3 PDZ domain bound to the HPV18 E6 oncoprotein C-terminal peptide
Descriptor: Protein E6, SODIUM ION, Tyrosine-protein phosphatase non-receptor type 3
Authors:Genera, M, Colcombet-Cazenave, B, Croitoru, A, Raynal, B, Mechaly, A, Caillet, J, Haouz, A, Wolff, N, Caillet-Saguy, C.
Deposit date:2023-03-11
Release date:2023-05-10
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Interactions of the protein tyrosine phosphatase PTPN3 with viral and cellular partners through its PDZ domain: insights into structural determinants and phosphatase activity.
Front Mol Biosci, 10, 2023
8ODR
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BU of 8odr by Molmil
Mimetic of UBC9-SUMO1
Descriptor: SULFATE ION, SUMO-conjugating enzyme UBC9, Small ubiquitin-related modifier 1
Authors:Coste, F, Goffinont, S, Suskiewicz, M.J.
Deposit date:2023-03-09
Release date:2023-06-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural insights into the regulation of the human E2∼SUMO conjugate through analysis of its stable mimetic.
J.Biol.Chem., 299, 2023
5JXE
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BU of 5jxe by Molmil
Human PD-1 ectodomain complexed with Pembrolizumab Fab
Descriptor: Pembrolizumab Fab heavy chain, Pembrolizumab Fab light chain, Programmed cell death protein 1
Authors:Na, Z, Bharath, S.R, Song, H.
Deposit date:2016-05-13
Release date:2016-08-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for blocking PD-1-mediated immune suppression by therapeutic antibody pembrolizumab.
Cell Res., 27, 2017
8OFD
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BU of 8ofd by Molmil
Crystal structure of beta-conglutin from Lupinus albus refined to 2.81 A
Descriptor: ACETATE ION, Conglutin beta 1, POTASSIUM ION, ...
Authors:Dolot, R.M, O'Sullivan, C.K, Jauset-Rubio, M.
Deposit date:2023-03-15
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:First crystal structure of beta-conglutin, a major lupin allergen from Lupinus albus seeds
To Be Published
5JYI
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BU of 5jyi by Molmil
Trypsin bound with succinic acid at 1.9A
Descriptor: CALCIUM ION, Cationic trypsin, SODIUM ION, ...
Authors:Manohar, R, Kutumbarao, N.H.V, KarthiK, L, Malathy, P, Velmurugan, D, Gunasekaran, K.
Deposit date:2016-05-14
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.914 Å)
Cite:Trypsin bound with succinic acid at 1.9A
To Be Published
5JQR
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BU of 5jqr by Molmil
The Structure of Ascorbate Peroxidase Compound II formed by reaction with m-CPBA
Descriptor: Ascorbate peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kwon, H, Raven, E.L, Moody, P.C.E.
Deposit date:2016-05-05
Release date:2016-12-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Direct visualization of a Fe(IV)-OH intermediate in a heme enzyme.
Nat Commun, 7, 2016
5JRM
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BU of 5jrm by Molmil
Crystal Structure of a Xylanase at 1.56 Angstroem resolution
Descriptor: Endo-1,4-beta-xylanase, GLYCEROL, SULFATE ION
Authors:Gomez, S, Payne, A.M, Savko, M, Fox, G.C, Shepard, W.E, Fernandez, F.J, Vega, M.C.
Deposit date:2016-05-06
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal Structure of a Xylanase at 1.56 Angstroem resolution
To Be Published
5JZB
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BU of 5jzb by Molmil
Crystal structure of HsaD bound to 3,5-dichlorobenzene sulphonamide
Descriptor: 3,5-dichlorobenzene-1-sulfonamide, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, PHOSPHATE ION
Authors:Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E.
Deposit date:2016-05-16
Release date:2017-04-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
5JZN
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BU of 5jzn by Molmil
Crystal structure of DCLK1-KD in complex with NVP-TAE684
Descriptor: 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE, SULFATE ION, Serine/threonine-protein kinase DCLK1
Authors:Patel, O, Lucet, I.
Deposit date:2016-05-17
Release date:2016-08-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Biochemical and Structural Insights into Doublecortin-like Kinase Domain 1.
Structure, 24, 2016
5JS5
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BU of 5js5 by Molmil
Nitric oxide complex of the L16F mutant of cytochrome c prime from Alcaligenes xylosoxidans
Descriptor: ASCORBIC ACID, Cytochrome c', HEME C, ...
Authors:Kekilli, D, Strange, R.W, Hough, M.A.
Deposit date:2016-05-07
Release date:2017-03-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineering proximal vs. distal heme-NO coordination via dinitrosyl dynamics: implications for NO sensor design.
Chem Sci, 8, 2017
8JTL
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BU of 8jtl by Molmil
Structure of OY phytoplasma SAP05 binding with AtRpn10
Descriptor: 26S proteasome non-ATPase regulatory subunit 4 homolog, Sequence-variable mosaic (SVM) signal sequence domain-containing protein
Authors:Du, Y.X, Zhang, L.Y, Zheng, Q.Y.
Deposit date:2023-06-22
Release date:2023-07-12
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure basis for recognition of plant Rpn10 by phytoplasma SAP05 in ubiquitin-independent protein degradation.
Iscience, 27, 2024
8JUK
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BU of 8juk by Molmil
Crystal structure of Adenosine triphosphate phosphoribosyltransferase from Acinetobacter baumannii at 2.18 A resolution
Descriptor: ACETATE ION, ATP phosphoribosyltransferase, GLYCEROL
Authors:Ahmad, N, Sharma, P, Sharma, S, Singh, T.P.
Deposit date:2023-06-26
Release date:2023-07-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.181 Å)
Cite:Crystal structure of Adenosine triphosphate phosphoribosyltransferase from Acinetobacter baumannii at 2.18 A resolution
To Be Published
5K1L
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BU of 5k1l by Molmil
Dehaloperoxidase B from Amphitrite ornata: benzimidazole complex
Descriptor: BENZIMIDAZOLE, Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Moreno Chicano, T, Hough, M.A.
Deposit date:2016-05-18
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Dehaloperoxidase B from Amphitrite ornata: benzimidazole complex
to be published
8JU8
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BU of 8ju8 by Molmil
de novo designed protein
Descriptor: de novo designed protein
Authors:Zhang, L.
Deposit date:2023-06-25
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:de novo designed Rossmann fold protein
To Be Published
8JTK
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BU of 8jtk by Molmil
Structure of AYWB phytoplasma SAP05 recognizing AtRpn10
Descriptor: 26S proteasome non-ATPase regulatory subunit 4 homolog, Sequence-variable mosaic (SVM) signal sequence domain-containing protein
Authors:Du, Y.X, Zhang, L.Y, Zheng, Q.Y.
Deposit date:2023-06-22
Release date:2023-07-19
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure basis for recognition of plant Rpn10 by phytoplasma SAP05 in ubiquitin-independent protein degradation.
Iscience, 27, 2024
8OI7
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BU of 8oi7 by Molmil
Trichomonas vaginalis riboside hydrolase
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Inosine-uridine preferring nucleoside hydrolase family protein, ...
Authors:Patrone, M, Stockman, B.J, Degano, M.
Deposit date:2023-03-22
Release date:2023-08-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A riboside hydrolase that salvages both nucleobases and nicotinamide in the auxotrophic parasite Trichomonas vaginalis.
J.Biol.Chem., 299, 2023
8OIZ
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BU of 8oiz by Molmil
Crystal structure of human CRBN-DDB1 in complex with Pomalidomide
Descriptor: 1,2-ETHANEDIOL, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Le Bihan, Y.-V, Cabry, M.P, van Montfort, R.L.M.
Deposit date:2023-03-23
Release date:2023-07-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Degron Blocking Strategy Towards Improved CRL4 CRBN Recruiting PROTAC Selectivity.
Chembiochem, 24, 2023
8K4Y
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BU of 8k4y by Molmil
Structure of a triple-helix region of human ReCol 3 from Trautec
Descriptor: SULFATE ION, triple-helix region of human ReCol 3
Authors:Chu, Y, Zhai, Y, Fan, X, Li, J, Wang, L, Fu, S, Feng, P, Qian, S.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a triple-helix region of human ReCol 3 from Trautec.
To Be Published
5JUH
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BU of 5juh by Molmil
Crystal structure of C-terminal domain (RV) of MpAFP
Descriptor: Antifreeze protein, CALCIUM ION
Authors:Guo, S.
Deposit date:2016-05-10
Release date:2017-07-19
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice.
Sci Adv, 3, 2017
8JDE
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BU of 8jde by Molmil
Crystal structure of mLDHD in complex with D-lactate
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, LACTIC ACID, MANGANESE (II) ION, ...
Authors:Jin, S, Chen, X, Yang, J, Ding, J.
Deposit date:2023-05-13
Release date:2023-10-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.729 Å)
Cite:Lactate dehydrogenase D is a general dehydrogenase for D-2-hydroxyacids and is associated with D-lactic acidosis.
Nat Commun, 14, 2023
8JDZ
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BU of 8jdz by Molmil
Crystal structure of mLDHD in complex with 2-keto-3-methylvaleric acid
Descriptor: (3S)-3-methyl-2-oxopentanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, MANGANESE (II) ION, ...
Authors:Jin, S, Chen, X, Yang, J, Ding, J.
Deposit date:2023-05-15
Release date:2023-10-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Lactate dehydrogenase D is a general dehydrogenase for D-2-hydroxyacids and is associated with D-lactic acidosis.
Nat Commun, 14, 2023
8JDP
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BU of 8jdp by Molmil
Crystal structure of H405A mLDHD in complex with D-2-hydroxyisovaleric acid
Descriptor: DEAMINOHYDROXYVALINE, FLAVIN-ADENINE DINUCLEOTIDE, Probable D-lactate dehydrogenase, ...
Authors:Jin, S, Chen, X, Yang, J, Ding, J.
Deposit date:2023-05-15
Release date:2023-10-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Lactate dehydrogenase D is a general dehydrogenase for D-2-hydroxyacids and is associated with D-lactic acidosis.
Nat Commun, 14, 2023
8JEA
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BU of 8jea by Molmil
Crystal structure of CGL1 from Crassostrea gigas, mannotriose-bound form (CGL1/Man(alpha)1-2Man(alpha)1-2Man)
Descriptor: ACETIC ACID, CACODYLATE ION, MAGNESIUM ION, ...
Authors:Unno, H, Hatakeyama, T.
Deposit date:2023-05-15
Release date:2023-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Mannose oligosaccharide recognition of CGL1, a mannose-specific lectin containing DM9 motifs from Crassostrea gigas, revealed by X-ray crystallographic analysis.
J.Biochem., 175, 2023
5K76
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BU of 5k76 by Molmil
IRAK4 in complex with Compound 28
Descriptor: Interleukin-1 receptor-associated kinase 4, ~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
Authors:Ferguson, A.D.
Deposit date:2016-05-25
Release date:2017-12-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017

224004

数据于2024-08-21公开中

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