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8X2R
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BU of 8x2r by Molmil
The Crystal Structure of HSP 90-alpha from Biortus.
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Heat shock protein HSP 90-alpha
Authors:Wang, F, Cheng, W, Lv, Z, Meng, Q, Lu, Y.
Deposit date:2023-11-10
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Crystal Structure of HSP 90-alpha from Biortus.
To Be Published
6FR9
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BU of 6fr9 by Molmil
F11 T-Cell Receptor Recognising PKYVKQNTLKLAT Peptide Presented by HLA-DR*0101
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
Authors:Rizkallah, P.J, Cole, D.K.
Deposit date:2018-02-15
Release date:2018-04-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:In Silicoand Structural Analyses Demonstrate That Intrinsic Protein Motions Guide T Cell Receptor Complementarity Determining Region Loop Flexibility.
Front Immunol, 9, 2018
8FXT
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BU of 8fxt by Molmil
Escherichia coli periplasmic Glucose-Binding Protein glucose complex: Acrylodan conjugate attached at W183C
Descriptor: 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one, CALCIUM ION, D-galactose/methyl-galactoside binding periplasmic protein MglB, ...
Authors:Allert, M.J, Kumar, S, Wang, Y, Beese, L.S, Hellinga, H.W.
Deposit date:2023-01-25
Release date:2023-08-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Chromophore carbonyl twisting in fluorescent biosensors encodes direct readout of protein conformations with multicolor switching.
Commun Chem, 6, 2023
8ZPP
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BU of 8zpp by Molmil
Local CryoEM structure of the SARS-CoV-2 BA.5 in complex with ORB10 Fab
Descriptor: Spike glycoprotein,Fibritin, variable heavy chain of ORB10 Fab, variable light chain of ORB10 Fab
Authors:Cao, S, Leng, C, Hu, H.
Deposit date:2024-05-30
Release date:2024-12-25
Last modified:2025-07-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insights into hybridoma-derived neutralizing monoclonal antibodies against Omicron BA.5 and XBB.1.16 variants of SARS-CoV-2.
J.Virol., 99, 2025
8X5M
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BU of 8x5m by Molmil
The Crystal Structure of JNK1 from Biortus.
Descriptor: 1,2-ETHANEDIOL, 3-[4-(dimethylamino)butanoylamino]-~{N}-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide, GLYCEROL, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J.
Deposit date:2023-11-17
Release date:2023-12-27
Last modified:2025-09-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of JNK1 from Biortus.
To Be Published
6R1L
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BU of 6r1l by Molmil
Crystal structure of LmrR with bound copper phenanthroline
Descriptor: 1,10-PHENANTHROLINE, COPPER (II) ION, Transcriptional regulator, ...
Authors:Reddem, R, Thunnissen, A.M.W.H.
Deposit date:2019-03-14
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Cofactor Binding Dynamics Influence the Catalytic Activity and Selectivity of an Artificial Metalloenzyme.
Acs Catalysis, 10, 2020
6UG2
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BU of 6ug2 by Molmil
C2 symmetric peptide design number 1, Zappy, crystal form 2
Descriptor: C2-1, Zappy, crystal form 2, ...
Authors:Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D.
Deposit date:2019-09-25
Release date:2020-12-02
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
9AX2
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BU of 9ax2 by Molmil
Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with 2-(1-methyl-3-oxo-5-(2-phenylpropoxy)isoindolin-2-yl)ethyl (3-(1H-imidazol-4-yl)benzyl)carbamate
Descriptor: 2-{(1R)-1-methyl-3-oxo-5-[(2S)-2-phenylpropoxy]-1,3-dihydro-2H-isoindol-2-yl}ethyl {[(3M)-3-(1H-imidazol-4-yl)phenyl]methyl}carbamate, H9 Immunoglobulin Light Chain, PHOSPHATE ION
Authors:Lederberg, O.L, Yan, N.L, Stanfield, R.L, Wilson, I.A, Kelly, J.W.
Deposit date:2024-03-05
Release date:2024-12-18
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of Potent and Selective Pyridone-Based Small Molecule Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains.
J.Med.Chem., 67, 2024
439D
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BU of 439d by Molmil
5'-R(*CP*UP*GP*GP*GP*CP*GP*G)-3', 5'-R(*CP*CP*GP*CP*CP*UP*GP*G)-3'
Descriptor: BARIUM ION, RNA (5'-R(*CP*CP*GP*CP*CP*UP*GP*G)-3'), RNA (5'-R(*CP*UP*GP*GP*GP*CP*GP*G)-3')
Authors:Perbandt, M, Lorenz, S, Vallazza, M, Erdmann, V.A, Betzel, C.
Deposit date:1999-01-05
Release date:2001-09-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of an RNA duplex with an unusual G.C pair in wobble-like conformation at 1.6 A resolution.
Acta Crystallogr.,Sect.D, 57, 2001
8ED8
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BU of 8ed8 by Molmil
cryo-EM structure of TRPM3 ion channel in the presence of PIP2 and PregS, state 1
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-09-03
Release date:2022-11-02
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8E2Q
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BU of 8e2q by Molmil
Crystal structure of TadAC-1.17 in a complex with ssDNA
Descriptor: DNA (5'-D(P*GP*CP*GP*GP*CP*TP*(D8A)P*CP*GP*GP*A)-3'), GLYCEROL, ZINC ION, ...
Authors:Feliciano, P.R, Lee, S.J, Ciaramella, G.
Deposit date:2022-08-15
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Improved cytosine base editors generated from TadA variants.
Nat.Biotechnol., 41, 2023
7Q63
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BU of 7q63 by Molmil
The tandem SH2 domains of SYK
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E.
Deposit date:2021-11-05
Release date:2021-11-24
Last modified:2025-01-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The mechanism of allosteric activation of SYK kinase derived from multiple phospho-ITAM-bound structures.
Structure, 32, 2024
7Q5T
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BU of 7q5t by Molmil
The tandem SH2 domains of SYK with a bound FCER1G diphospho-ITAM peptide
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, High affinity immunoglobulin epsilon receptor subunit gamma, ...
Authors:Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E.
Deposit date:2021-11-04
Release date:2021-11-24
Last modified:2025-01-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The mechanism of allosteric activation of SYK kinase derived from multiple phospho-ITAM-bound structures.
Structure, 32, 2024
8WYG
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BU of 8wyg by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor 22
Descriptor: 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 2
Authors:Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X.
Deposit date:2023-10-30
Release date:2024-01-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.
J.Med.Chem., 67, 2024
7S2Y
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BU of 7s2y by Molmil
SAMHD1 HD domain bound to CNDAC
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 4-amino-1-{2-cyano-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Digianantonio, K.M, Xiong, Y.
Deposit date:2021-09-04
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Differences between intrinsic and acquired nucleoside analogue resistance in acute myeloid leukaemia cells.
J Exp Clin Cancer Res, 40, 2021
7Q5W
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BU of 7q5w by Molmil
The tandem SH2 domains of SYK with a bound TYROBP diphospho-ITAM peptide
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, DI(HYDROXYETHYL)ETHER, ...
Authors:Bradshaw, W.J, Katis, V.L, Chen, Z, Bountra, C, von Delft, F, Gileadi, O, Brennan, P.E.
Deposit date:2021-11-04
Release date:2021-11-24
Last modified:2025-01-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The mechanism of allosteric activation of SYK kinase derived from multiple phospho-ITAM-bound structures.
Structure, 32, 2024
8EHE
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BU of 8ehe by Molmil
Structure of Tannerella forsythia potempin C in complex with mirolase
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Gomis-Ruth, F.X.
Deposit date:2022-09-14
Release date:2022-12-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023
8EEQ
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BU of 8eeq by Molmil
CryoEM structures of bAE1 captured in multiple states.
Descriptor: Anion exchange protein
Authors:Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I.
Deposit date:2022-09-07
Release date:2023-01-25
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations.
Commun Biol, 5, 2022
9HFP
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BU of 9hfp by Molmil
ROCK2 IN COMPLEX WITH CPD7
Descriptor: Rho-associated protein kinase 2, ~{N}-[4-[(3~{R})-piperidin-3-yl]oxyphenyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-amine
Authors:Scheufler, C, Griessner, A.
Deposit date:2024-11-18
Release date:2025-07-09
Last modified:2025-07-23
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Discovery and Optimization of Selective Inhibitors of Large Tumor Suppressor Kinases LATS1 and 2 for In Vivo Investigation of the Hippo-YAP Pathway in Tissue Regeneration.
J.Med.Chem., 68, 2025
8XLD
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BU of 8xld by Molmil
Structure of the GFP:GFP-nanobody complex from Biortus.
Descriptor: 1,2-ETHANEDIOL, Nanobody(Staygold-S2G10)-Nanobody(Staygold-S4F1), ZINC ION, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Bao, C.
Deposit date:2023-12-25
Release date:2024-03-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the GFP:GFP-nanobody complex from Biortus.
To Be Published
8G1Z
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BU of 8g1z by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz317
Descriptor: 1,2-ETHANEDIOL, 4-(acetamidomethyl)-N-hydroxybenzamide, Hdac6 protein, ...
Authors:Tararina, M.A, Christianson, D.W.
Deposit date:2023-02-03
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
8E62
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BU of 8e62 by Molmil
STRUCTURE OF Pcryo_0615 from Psychrobacter cryohalolentis, an N-acetyltransferase required to produce Diacetamido-2,3-dideoxy-D-glucuronic acid
Descriptor: (2S,3S,4R,5R,6R)-5-(acetylamino)-4-amino-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2H-pyran-2-carboxylic acid, COENZYME A, SODIUM ION, ...
Authors:Hofmeister, D.L, Bockhaus, N.J, Seltzner, C.A, Thoden, J.B, Holden, H.M.
Deposit date:2022-08-22
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Investigation of the enzymes required for the biosynthesis of 2,3-diacetamido-2,3-dideoxy-d-glucuronic acid in Psychrobacter cryohalolentis K5 T.
Protein Sci., 32, 2023
8XPX
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BU of 8xpx by Molmil
The Crystal Structure of PARP12 from Biortus.
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Wang, F, Cheng, W, Lv, Z, Qi, J, Shen, Z.
Deposit date:2024-01-04
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Crystal Structure of PARP12 from Biortus.
To Be Published
6RA5
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BU of 6ra5 by Molmil
Human tnik in complex with compound 9
Descriptor: 5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine, MAGNESIUM ION, TRAF2 and NCK-interacting protein kinase
Authors:Read, J.A.
Deposit date:2019-04-05
Release date:2020-05-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Tool inhibitors and assays to interrogate the biology of the TRAF2 and NCK interacting kinase
To Be Published
8XS4
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BU of 8xs4 by Molmil
Cryo-EM structure of OSCA1.2-DOPC-1:20-contracted1 state
Descriptor: Calcium permeable stress-gated cation channel 1
Authors:Zhang, Y, Han, Y.
Deposit date:2024-01-08
Release date:2024-04-10
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Mechanical activation opens a lipid-lined pore in OSCA ion channels.
Nature, 628, 2024

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数据于2025-11-05公开中

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