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8X2P
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BU of 8x2p by Molmil
The Crystal Structure of LCK from Biortus.
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, TETRAETHYLENE GLYCOL, ...
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 (1.4 Å)
Cite:The Crystal Structure of LCK from Biortus.
To Be Published
8WBS
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BU of 8wbs by Molmil
Crystal structure of cis-Epoxysuccinate Hydrolases KlCESH[L]-D48N complexed with sulfate ions
Descriptor: (S)-2-haloacid dehalogenase, CALCIUM ION, SULFATE ION
Authors:Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q.
Deposit date:2023-09-10
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid.
J.Biol.Chem., 300, 2024
8UTG
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BU of 8utg by Molmil
An RNA G-Quadruplex from the NS5 gene in the West Nile Virus Genome
Descriptor: AMMONIUM ION, POTASSIUM ION, RNA (5'-R(*UP*AP*UP*GP*GP*AP*AP*GP*AP*GP*GP*CP*GP*GP*UP*UP*GP*GP*UP*AP*U)-3')
Authors:Terrell, J.R, Le, T.T, Wilson, W.D, Siemer, J.L.
Deposit date:2023-10-31
Release date:2024-06-19
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure of an RNA G-quadruplex from the West Nile virus genome.
Nat Commun, 15, 2024
8XI8
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BU of 8xi8 by Molmil
The Crystal Structure of TAB1 from Biortus.
Descriptor: TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Bao, C.
Deposit date:2023-12-19
Release date:2024-03-06
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:The Crystal Structure of TAB1 from Biortus.
To Be Published
8TXA
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BU of 8txa by Molmil
Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum
Descriptor: tRNA (guanine-N(1)-)-methyltransferase
Authors:Balsamo, A, Bruno, C, Edele, C, Fabian, T, Jannotta, R, Lee, R, Schryver, D, Warsaw, J, Warsaw, L, Stojanoff, V, Battaile, K, Perez, A, Bolen, R.
Deposit date:2023-08-23
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.591 Å)
Cite:Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum
To Be Published
8X2Q
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BU of 8x2q by Molmil
The Crystal Structure of APC from Biortus.
Descriptor: 1,2-ETHANEDIOL, Adenomatous polyposis coli protein
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Bao, C.
Deposit date:2023-11-10
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of APC from Biortus.
To Be Published
8YX1
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BU of 8yx1 by Molmil
CD40 in complex with Bleselumab Fab
Descriptor: Bleselumab, heavy chain, light chain, ...
Authors:Caaveiro, J.M.M, Fernandez-Perez, J, Tsumoto, K.
Deposit date:2024-04-01
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of human CD40 in complex with monoclonal antibodies dacetuzumab and bleselumab.
Biochem.Biophys.Res.Commun., 714, 2024
8V97
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BU of 8v97 by Molmil
GII.17 CS-E1 norovirus protruding domain
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1, DI(HYDROXYETHYL)ETHER
Authors:Kher, G, Prewitt, A, Pancera, M, Hansman, G.
Deposit date:2023-12-07
Release date:2024-06-19
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 2024
8VET
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BU of 8vet by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 1
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8X34
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BU of 8x34 by Molmil
Human Kelch like-ECH Associated Protein 1 (Keap1)
Descriptor: Kelch-like ECH-associated protein 1
Authors:Yilmaz, M, Gul, M, DeMirci, H.
Deposit date:2023-11-11
Release date:2023-11-22
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human KEAP1 Kelch domain at ambient temperature
To Be Published
8VEU
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BU of 8veu by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 23
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VR0
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BU of 8vr0 by Molmil
Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (GMP bound)
Descriptor: Betaine aldehyde dehydrogenase, CHLORIDE ION, GUANOSINE-5'-MONOPHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-01-19
Release date:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Betaine aldehyde dehydrogenase (BetB) from Klebsiella aerogenes (GMP bound)
To be published
8WD2
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BU of 8wd2 by Molmil
The Crystal Structure of p53 from Biortus.
Descriptor: 1,2-ETHANEDIOL, Cellular tumor antigen p53, PHOSPHATE ION, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Lu, Y.
Deposit date:2023-09-14
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Crystal Structure of p53 from Biortus.
To Be Published
8VRV
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BU of 8vrv by Molmil
GII.4c H2-tri HBGA norovirus protruding domain
Descriptor: 1,2-ETHANEDIOL, Capsid protein, FORMIC ACID, ...
Authors:Kher, G, Prewitt, A, Pancera, M, Hansman, G.
Deposit date:2024-01-22
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Advancement of norovirus therapies
To Be Published
8TNV
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BU of 8tnv by Molmil
Hemocyanin Functional Unit CCHB-g of Concholepas concholepas
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Munoz, S, Vallejos-Baccelliere, G, Manubens, A, Salazar, M, Nascimento, A.F.Z, Ambrosio, A.L.B, Becker, M.I, Guixe, V, Castro-Fernandez, V.
Deposit date:2023-08-02
Release date:2024-04-10
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insights into a functional unit from an immunogenic mollusk hemocyanin.
Structure, 32, 2024
8XGA
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BU of 8xga by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)indolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.537 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8WF7
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BU of 8wf7 by Molmil
The Crystal Structure of integrase from Biortus
Descriptor: ACETATE ION, Integrase, SULFATE ION
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J.
Deposit date:2023-09-19
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Crystal Structure of integrase from Biortus
To Be Published
8WBT
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BU of 8wbt by Molmil
Crystal structure of cis-Epoxysuccinate Hydrolases KlCESH[L] mutant D48N complexed with L-TA
Descriptor: (S)-2-haloacid dehalogenase, CALCIUM ION, GLYCEROL, ...
Authors:Dong, S, Xuan, J.S, Feng, Y.G, Cui, Q.
Deposit date:2023-09-10
Release date:2024-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid.
J.Biol.Chem., 300, 2024
8V1O
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BU of 8v1o by Molmil
Crystal structure of IRAK4 kinase domain with compound 4
Descriptor: CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ...
Authors:Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N.
Deposit date:2023-11-21
Release date:2024-07-03
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 2024
8X5Z
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BU of 8x5z by Molmil
The Crystal Structure of PAK1 kinase domain from Biortus.
Descriptor: Serine/threonine-protein kinase PAK 1
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Ni, C.
Deposit date:2023-11-20
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Crystal Structure of PAK1 kinase domain from Biortus.
To Be Published
8UDC
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BU of 8udc by Molmil
Crystal structure of TcPINK1 in complex with CYC116
Descriptor: (4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Veyron, S, Rasool, S, Trempe, J.F.
Deposit date:2023-09-28
Release date:2024-04-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Characterization of a small-molecule inhibitor of PINK1, a precursor tool compound for the study of Parkinson's disease
To Be Published
8YJ8
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BU of 8yj8 by Molmil
Characerization of a novel format scFvXVHH single-chain Biparatopic antibody against a metal binding protein, MtsA
Descriptor: Iron ABC transporter substrate-binding lipoprotein MtsA, VHH43, ZINC ION
Authors:Ito, S, Nagatoishi, S, Nakakido, M, Tsumoto, K.
Deposit date:2024-03-01
Release date:2024-06-19
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Characterization of a novel format scFv×VHH single-chain biparatopic antibody against metal binding protein MtsA.
Protein Sci., 33, 2024
8YTR
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BU of 8ytr by Molmil
The structure of Cu(II)-CopC from Thioalkalivibrio paradoxus
Descriptor: COPPER (II) ION, CopC domain-containing protein, DI(HYDROXYETHYL)ETHER
Authors:Kulikova, O.G, Solovieva, A.Y, Varfolomeeva, L.A, Dergousova, N.I, Nikolaeva, A.Y, Boyko, K.M, Tikhonova, T.V, Popov, V.O.
Deposit date:2024-03-26
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of Cu(II)-CopC from Thioalkalivibrio paradoxus
To Be Published
8YU9
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BU of 8yu9 by Molmil
Tubulin-RB3-TTL in complex with compound SI10
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloranylthieno[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one, CALCIUM ION, ...
Authors:Wu, C.Y, Wang, Y.X.
Deposit date:2024-03-27
Release date:2024-06-05
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:The crystal structure of tubulin-RB3-TTL in complex with compound AB10
To Be Published
8V2L
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BU of 8v2l by Molmil
Crystal structure of IRAK4 kinase domain with compound 8
Descriptor: 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide
Authors:Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N.
Deposit date:2023-11-22
Release date:2024-07-03
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 2024

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数据于2024-07-17公开中

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