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8VRU
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BU of 8vru by Molmil
GII.4c apo 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 (1.34 Å)
Cite:Advancement of norovirus therapies
To Be Published
8ZQF
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BU of 8zqf by Molmil
Crystal structure of a novel alginate-binding carbohydrate binding module
Descriptor: Alginate lyase
Authors:Mei, X.W, Tao, W.W, Chang, Y.G.
Deposit date:2024-06-02
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a novel alginate-binding carbohydrate binding module
To Be Published
9EPM
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BU of 9epm by Molmil
Mpro from SARS-CoV-2 with 4A mutation
Descriptor: Non-structural protein 11
Authors:Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y.
Deposit date:2024-03-19
Release date:2024-04-17
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
8YLB
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BU of 8ylb by Molmil
Cocrystal structures of agonists compound 1 with HsClpP
Descriptor: 5-[(2-methylphenyl)methyl]-11-(phenylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),6-dien-8-one, ATP-dependent Clp protease proteolytic subunit, mitochondrial
Authors:Zhao, N, Zhu, Y, Bao, R.
Deposit date:2024-03-06
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Rational Design of a Novel Class of Human ClpP Agonists through a Ring-Opening Strategy with Enhanced Antileukemia Activity.
J.Med.Chem., 67, 2024
8VW1
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BU of 8vw1 by Molmil
Crystal Structure of Apo UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli (ADP bound)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-01-31
Release date:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Apo UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli (ADP bound)
To be published
9EWM
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BU of 9ewm by Molmil
Mpro from SARS-CoV-2 with R4Q R298Q double mutations
Descriptor: Non-structural protein 11
Authors:Plewka, J, Lis, K, Chykunova, Y, Czarna, A, Kantyka, T, Pyrc, K.
Deposit date:2024-04-04
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
9EUS
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BU of 9eus by Molmil
Mpro from SARS-CoV-2 with R298A mutation
Descriptor: GLYCEROL, Replicase polyprotein 1a
Authors:Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y.
Deposit date:2024-03-28
Release date:2024-04-17
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
9AV6
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BU of 9av6 by Molmil
Crystal structure of CMGC family protein kinase from Trichomonas vaginalis (Apo)
Descriptor: SULFATE ION, non-specific serine/threonine protein kinase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-03-01
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of CMGC family protein kinase from Trichomonas vaginalis (Apo)
To be published
8V2K
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BU of 8v2k by Molmil
Proteus vulgaris tryptophan indole-lyase complexed with L-alanine
Descriptor: (2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}PROPANOIC ACID, (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, DIMETHYL SULFOXIDE, ...
Authors:Phillips, R.S.
Deposit date:2023-11-22
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Proteus vulgaris tryptophan indole-lyase complexed with L-alanine
To Be Published
8YRT
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BU of 8yrt by Molmil
Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis in the holo form obtained at pH 7.0
Descriptor: Aminotransferase class IV, PYRIDOXAL-5'-PHOSPHATE
Authors:Matyuta, I.O, Bakunova, A.K, Minyaev, M.E, Popov, V.O, Boyko, K.M.
Deposit date:2024-03-21
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis in the holo form obtained at pH 7.0
To Be Published
8WBK
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BU of 8wbk by Molmil
Crystal structure of cis-Epoxysuccinate Hydrolases RhCESH[L]
Descriptor: Epoxide hydrolase, 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 (2.15 Å)
Cite:Deciphering the stereo-specific catalytic mechanisms of cis-epoxysuccinate hydrolases producing L(+)-tartaric acid.
J.Biol.Chem., 300, 2024
8U8J
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BU of 8u8j by Molmil
Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #16
Descriptor: (4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1
Authors:Anderson, J.W, Vigers, G.P.
Deposit date:2023-09-18
Release date:2024-03-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2.
Elife, 12, 2024
8WXY
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BU of 8wxy by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 23
Descriptor: 5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-4-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]pyridin-2-one, Bromodomain-containing protein 4, GLYCEROL
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 (2.87 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
9B0M
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BU of 9b0m by Molmil
Crystal structure of Macrophage migration inhibitory factor from Plasmodium vivax
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, L-dopachrome isomerase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-03-12
Release date:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Macrophage migration inhibitory factor from Plasmodium vivax
To be published
8YJ6
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BU of 8yj6 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, ZINC ION
Authors:Ito, S, Nagatoishi, S, Nakakido, M, Tsumoto, K.
Deposit date:2024-03-01
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Characterization of a novel format scFv×VHH single-chain biparatopic antibody against metal binding protein MtsA.
Protein Sci., 33, 2024
8V1K
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BU of 8v1k by Molmil
Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Francisella tularensis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Outer-membrane lipoprotein carrier protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-11-20
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of outer membrane lipoprotein carrier protein (LolA) from Francisella tularensis
To be published
8XPG
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BU of 8xpg by Molmil
The Crystal Structure of polo box domain of Plk4 from Biortus.
Descriptor: SULFATE ION, Serine/threonine-protein kinase PLK4
Authors:Wang, F, Cheng, W, Lv, Z, Meng, Q, Zhang, B.
Deposit date:2024-01-03
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Crystal Structure of polo box domain of Plk4 from Biortus.
To Be Published
8W9H
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BU of 8w9h by Molmil
Crystal structure of anti-human CLEC12A antibody 50C1
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, anti-human CLEC12A antibody 50C1 Fab Heavy chain, ...
Authors:Mori, S, Nagae, M, Yamasaki, S.
Deposit date:2023-09-05
Release date:2024-03-06
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the complex of CLEC12A and an antibody that interferes with binding of diverse ligands.
Int.Immunol., 36, 2024
9F4X
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BU of 9f4x by Molmil
UP1 in complex with Z1220452176
Descriptor: Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide
Authors:Dunnett, L, Prischi, F.
Deposit date:2024-04-28
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
8XN8
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BU of 8xn8 by Molmil
The Crystal Structure of SRC from Biortus.
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Bao, C.
Deposit date:2023-12-29
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Crystal Structure of SRC from Biortus.
To Be Published
8XPZ
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BU of 8xpz by Molmil
The Crystal Structure of TTBK1 from Biortus.
Descriptor: 1,2-ETHANEDIOL, Tau-tubulin kinase 1
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Ni, C.
Deposit date:2024-01-04
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of TTBK1 from Biortus.
To Be Published
8YR7
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BU of 8yr7 by Molmil
Crystal structure of human dishevelled 2 (Dvl2) PDZ domain fused with WGEF internal peptide motif
Descriptor: Segment polarity protein dishevelled homolog DVL-2,Rho guanine nucleotide exchange factor 19
Authors:Omble, A, Mahajan, S, Kulkarni, K.A.
Deposit date:2024-03-20
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Dishevelled2 activates WGEF via its interaction with a unique internal peptide motif of the GEF.
Commun Biol, 7, 2024
8WMT
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BU of 8wmt by Molmil
Crystal structure of cis-epoxysuccinic hydrolase from Bradyrhizobium mercantei
Descriptor: cis-epoxysuccinic hydrolase
Authors:Han, Y, Kong, X.D, Xu, J.H.
Deposit date:2023-10-04
Release date:2024-06-12
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Insights of a cis -Epoxysuccinate Hydrolase Facilitate the Development of Robust Biocatalysts for the Production of l-(+)-Tartrate.
Biochemistry, 63, 2024
8XPV
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BU of 8xpv by Molmil
The Crystal Structure of EphA2 from Biortus.
Descriptor: 1,2-ETHANEDIOL, 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea, Ephrin type-A receptor 2, ...
Authors:Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y.
Deposit date:2024-01-04
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Crystal Structure of EphA2 from Biortus.
To Be Published
8W0J
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BU of 8w0j by Molmil
Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a propyne AMP ester inhibitor
Descriptor: 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine, Acetyl-coenzyme A synthetase 2, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2024-02-13
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a propyne AMP ester inhibitor
To be published

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PDB entries from 2024-07-17

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