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8SV3
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BU of 8sv3 by Molmil
7-Deazapurines and 5-Halogenpyrimidine DNA duplex
Descriptor: GLYCEROL, MAGNESIUM ION, Modified DNA, ...
Authors:Pallan, P.S, Egli, M.
Deposit date:2023-05-15
Release date:2023-10-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Conformational Morphing by a DNA Analogue Featuring 7-Deazapurines and 5-Halogenpyrimidines and the Origins of Adenine-Tract Geometry.
Biochemistry, 62, 2023
8SV2
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BU of 8sv2 by Molmil
Pasteurella multocida alpha2,3/2,6 sialyltransferase D141N bound to CMP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-2,3/2,6-sialyltransferase/sialidase, CYTIDINE-5'-MONOPHOSPHATE, ...
Authors:Stubbs, H.E, Iverson, T.M.
Deposit date:2023-05-15
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Pasteurella multocida alpha2,3/2,6 sialyltransferase D141N bound to CMP
To Be Published
8SUZ
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BU of 8suz by Molmil
Open State of the SARS-CoV-2 Envelope Protein Transmembrane Domain, Determined by Solid-State NMR
Descriptor: Envelope small membrane protein
Authors:Medeiros-Silva, J, Dregni, A.J, Somberg, N.H, Hong, M.
Deposit date:2023-05-14
Release date:2023-10-25
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Atomic structure of the open SARS-CoV-2 E viroporin.
Sci Adv, 9, 2023
8SUF
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BU of 8suf by Molmil
The complex of TOL-1 ectodomain bound to LAT-1 Lectin domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Latrophilin-like protein 1, ...
Authors:Carmona Rosas, G, Li, J, Arac, D, Ozkan, E.
Deposit date:2023-05-12
Release date:2024-05-15
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural basis and functional roles for Toll-like receptor binding to Latrophilin adhesion-GPCR in embryo development
To Be Published
8SU6
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BU of 8su6 by Molmil
Crystal Structure of ArnB Transferase from Klebsiella aerogenes (Lattice Translocation Disorder, P1 form2)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ETHANOL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-05-11
Release date:2023-05-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of ArnB Transferase from Klebsiella aerogenes (Lattice Translocation Disorder, P1 form2 )
To be published
8SU5
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BU of 8su5 by Molmil
F198T epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl triethyl ammonium cation
Descriptor: Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Eaton, S.A, Christianson, D.W.
Deposit date:2023-05-11
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Reprogramming the Cyclization Cascade of epi -Isozizaene Synthase to Generate Alternative Terpene Products.
Biochemistry, 62, 2023
8SU4
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BU of 8su4 by Molmil
F198S epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl triethyl ammonium cation
Descriptor: Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Eaton, S.A, Christianson, D.W.
Deposit date:2023-05-11
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Reprogramming the Cyclization Cascade of epi -Isozizaene Synthase to Generate Alternative Terpene Products.
Biochemistry, 62, 2023
8SU3
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BU of 8su3 by Molmil
F95S epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl triethyl ammonium cation
Descriptor: Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Eaton, S.A, Christianson, D.W.
Deposit date:2023-05-11
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Reprogramming the Cyclization Cascade of epi -Isozizaene Synthase to Generate Alternative Terpene Products.
Biochemistry, 62, 2023
8SU2
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BU of 8su2 by Molmil
F96H epi-Isozizaene Synthase: complex with 3 Mg2+ and risedronate
Descriptor: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Epi-isozizaene synthase, GLYCEROL, ...
Authors:Eaton, S.A, Christianson, D.W.
Deposit date:2023-05-11
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Reprogramming the Cyclization Cascade of epi -Isozizaene Synthase to Generate Alternative Terpene Products.
Biochemistry, 62, 2023
8STZ
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BU of 8stz by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37
Descriptor: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate
Authors:Blankenship, L.B, Liu, W.R.
Deposit date:2023-05-11
Release date:2023-08-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8STY
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BU of 8sty by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI60
Descriptor: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate
Authors:Blankenship, L.B, Liu, W.R.
Deposit date:2023-05-11
Release date:2023-08-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8STX
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BU of 8stx by Molmil
Crystal structure of the F337A mutation of Trypanosoma cruzi glucokinase in the apo form (open conformation)
Descriptor: Glucokinase
Authors:Abiskaroon, B, Carey, S.M, D'Antonio, E.L, Chruszcz, M.
Deposit date:2023-05-11
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:At the outer part of the active site in Trypanosoma cruzi glucokinase: The role of phenylalanine 337.
Biochimie, 218, 2023
8STG
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BU of 8stg by Molmil
Discovery and clinical validation of RLY-4008, the first highly selective FGFR2 inhibitor with activity across FGFR2 alterations and resistance mutations
Descriptor: Fibroblast growth factor receptor 2, N-{4-[(5P)-4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}-2-methylpropanamide
Authors:Valverde, R, Foster, L.
Deposit date:2023-05-10
Release date:2023-06-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.79 Å)
Cite:RLY-4008, the First Highly Selective FGFR2 Inhibitor with Activity across FGFR2 Alterations and Resistance Mutations.
Cancer Discov, 13, 2023
8STB
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BU of 8stb by Molmil
The structure of abxF, an enzyme catalyzing the formation of the chiral spiroketal of an anthrabenzoxocinone antibiotic, (-)-ABX
Descriptor: CHLORIDE ION, GLYCEROL, Glyoxalase, ...
Authors:Luo, Z, Jia, X, Yan, X, Qu, X, Kobe, B.
Deposit date:2023-05-09
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The crystal structure of abxF, an enzyme catalyzing the formation of the chiral spiroketal of an anthrabenzoxocinone antibiotic, (-)-ABX.
To Be Published
8ST9
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BU of 8st9 by Molmil
Structure of E3 ligase NleL bound to ubiquitin
Descriptor: E3 ubiquitin-protein ligase SopA, Ubiquitin, prop-2-en-1-amine
Authors:Franklin, T.G, Pruneda, J.N.
Deposit date:2023-05-09
Release date:2023-07-12
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Bacterial ligases reveal fundamental principles of polyubiquitin specificity.
Mol.Cell, 83, 2023
8ST8
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BU of 8st8 by Molmil
Structure of E3 ligase SopA bound to ubiquitin
Descriptor: E3 ubiquitin-protein ligase SopA, Ubiquitin, prop-2-en-1-amine
Authors:Franklin, T.G, Pruneda, J.N.
Deposit date:2023-05-09
Release date:2023-07-12
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Bacterial ligases reveal fundamental principles of polyubiquitin specificity.
Mol.Cell, 83, 2023
8ST7
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BU of 8st7 by Molmil
Structure of E3 ligase VsHECT bound to ubiquitin
Descriptor: E3 ubiquitin-protein ligase SopA-like catalytic domain-containing protein, Ubiquitin, prop-2-en-1-amine
Authors:Franklin, T.G, Pruneda, J.N.
Deposit date:2023-05-09
Release date:2023-07-12
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Bacterial ligases reveal fundamental principles of polyubiquitin specificity.
Mol.Cell, 83, 2023
8SSU
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BU of 8ssu by Molmil
ZnFs 3-11 of CCCTC-binding factor (CTCF) Complexed with 19mer DNA
Descriptor: 1,2-ETHANEDIOL, DNA (19-MER) Strand I, DNA (19-MER) Strand II, ...
Authors:Horton, J.R, Yang, J, Cheng, X.
Deposit date:2023-05-08
Release date:2023-08-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structures of CTCF-DNA complexes including all 11 zinc fingers.
Nucleic Acids Res., 51, 2023
8SSP
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BU of 8ssp by Molmil
AurA bound to danusertib and activating monobody Mb1
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Ludewig, H, Kim, C, Kern, D.
Deposit date:2023-05-08
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A biophysical framework for double-drugging kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
8SSM
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BU of 8ssm by Molmil
Citrobacter rodentium contact dependent growth inhibition (CDI) toxin (CdiA-CT) and immunity (CdiI) complex
Descriptor: CdiI (immunity protein), Contact-dependent inhibitor A, GLYCEROL
Authors:Cuthbert, B.J, Goulding, C.W, Hayes, C.S, Nhan, D.Q.
Deposit date:2023-05-08
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural and biochemical studies into Citrobacter rodentium contact dependent growth inhibition (CDI) peptidase toxin
To Be Published
8SSK
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BU of 8ssk by Molmil
Citrobacter rodentium contact dependent growth inhibition (CDI) entry and toxin (CdiA-CT) domains
Descriptor: ACETATE ION, CALCIUM ION, Contact-dependent inhibitor A, ...
Authors:Cuthbert, B.J, Goulding, C.W, Hayes, C.S, Nhan, D.Q.
Deposit date:2023-05-08
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Citrobacter rodentium contact dependent growth inhibition (CDI) entry and toxin (CdiA-CT) domains
To Be Published
8SSI
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BU of 8ssi by Molmil
Structure of Burkholderia pseudomallei deubiquitinase TssM in complex with ubiquitin
Descriptor: Deubiquitinase TssM, GLYCEROL, Ubiquitin, ...
Authors:Szczesna, M, Pruneda, J.N, Thurston, T.L.M.
Deposit date:2023-05-08
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Burkholderia esterase TssM counters RNF213-mediated bacterial ubiquitylation
To Be Published
8SSE
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BU of 8sse by Molmil
Methionine synthase, C-terminal fragment, Cobalamin and Reactivation Domains from Thermus thermophilus HB8
Descriptor: COBALAMIN, Methionine synthase
Authors:Yamada, K, Mendoza, J, Koutmos, M.
Deposit date:2023-05-08
Release date:2023-10-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structure of full-length cobalamin-dependent methionine synthase and cofactor loading captured in crystallo.
Nat Commun, 14, 2023
8SSB
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BU of 8ssb by Molmil
Structure of LBD-TMD of AMPA receptor GluA2 in complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to glutamate and channel blocker spermidine (desensitized state)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, GLUTAMIC ACID, Glutamate receptor 2, ...
Authors:Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2023-05-08
Release date:2023-09-06
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
8SSA
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BU of 8ssa by Molmil
Structure of AMPA receptor GluA2 complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to glutamate and channel blocker spermidine (desensitized state)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, GLUTAMIC ACID, Glutamate receptor 2, ...
Authors:Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2023-05-08
Release date:2023-09-06
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023

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PDB entries from 2024-08-07

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