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1F6J
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CRYSTAL STRUCTURE OF THE E-DNA HEXAMER GGCGBR5CC
Descriptor: DNA (5'-D(*GP*GP*CP*GP*(CBR)P*C)-3')
Authors:Vargason, J.M, Eichman, B.F, Ho, P.S.
Deposit date:2000-06-21
Release date:2000-08-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The extended and eccentric E-DNA structure induced by cytosine methylation or bromination.
Nat.Struct.Biol., 7, 2000
1FLC
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BU of 1flc by Molmil
X-RAY STRUCTURE OF THE HAEMAGGLUTININ-ESTERASE-FUSION GLYCOPROTEIN OF INFLUENZA C VIRUS
Descriptor: HAEMAGGLUTININ-ESTERASE-FUSION GLYCOPROTEIN, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rosenthal, P.B, Zhang, X, Formanowski, F, Fitz, W, Wong, C.H, Meier-Ewert, H, Skehel, J.J, Wiley, D.C.
Deposit date:1999-02-22
Release date:2000-03-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of the haemagglutinin-esterase-fusion glycoprotein of influenza C virus.
Nature, 396, 1998
7Q1S
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BU of 7q1s by Molmil
A de novo designed hetero-dimeric antiparallel coiled coil apCC-Di-AB_var
Descriptor: 1,2-ETHANEDIOL, apCC-Di-A_var, apCC-Di-B_var
Authors:Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B.
Deposit date:2021-10-20
Release date:2022-07-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
6UC6
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BU of 6uc6 by Molmil
Crystal structure of BoNT/B receptor-binding domain in complex with VHH JLI-H11
Descriptor: Botulinum neurotoxin type B, JLI-H11
Authors:Lam, K, Jin, R.
Deposit date:2019-09-15
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.32005882 Å)
Cite:Structural Insights into Rational Design of Single-Domain Antibody-Based Antitoxins against Botulinum Neurotoxins
Cell Rep, 30, 2020
6UHT
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BU of 6uht by Molmil
Crystal structure of BoNT/B receptor-binding domain in complex with VHH JLI-G10
Descriptor: Botulinum neurotoxin type B, JLI-G10
Authors:Lam, K, Jin, R.
Deposit date:2019-09-28
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.20001459 Å)
Cite:Structural Insights into Rational Design of Single-Domain Antibody-Based Antitoxins against Botulinum Neurotoxins
Cell Rep, 30, 2020
7SIH
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BU of 7sih by Molmil
Crystal Structure of HLA B*3503 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I
Descriptor: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ...
Authors:Gras, S, Lobos, C.A, Chatzileontiadou, D.S.M.
Deposit date:2021-10-14
Release date:2022-11-23
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular insights into the HLA-B35 molecules' classification associated with HIV control.
Immunol.Cell.Biol., 102, 2024
7SIG
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BU of 7sig by Molmil
Crystal Structure of HLA B*3501 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I
Descriptor: Beta-2-microglobulin, CITRATE ANION, MHC class I antigen, ...
Authors:Gras, S, Lobos, C.A, Chatzileontiadou, D.S.M.
Deposit date:2021-10-14
Release date:2022-11-23
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.741 Å)
Cite:Molecular insights into the HLA-B35 molecules' classification associated with HIV control.
Immunol.Cell.Biol., 102, 2024
7SIF
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BU of 7sif by Molmil
Crystal Structure of HLA B*3505 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, ...
Authors:Gras, S, Lobos, C.A, Chatzileontiadou, D.S.M.
Deposit date:2021-10-14
Release date:2022-11-23
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Molecular insights into the HLA-B35 molecules' classification associated with HIV control.
Immunol.Cell.Biol., 102, 2024
1FIX
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BU of 1fix by Molmil
THE STRUCTURE OF AN RNA/DNA HYBRID: A SUBSTRATE OF THE RIBONUCLEASE ACTIVITY OF HIV-1 REVERSE TRANSCRIPTASE
Descriptor: DNA (5'-D(*GP*GP*CP*GP*CP*CP*CP*GP*AP*A)-3'), RNA (5'-R(*UP*UP*CP*GP*GP*GP*CP*GP*CP*C)-3')
Authors:Horton, N.C, Finzel, B.C.
Deposit date:1996-10-24
Release date:1996-12-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of an RNA/DNA hybrid: a substrate of the ribonuclease activity of HIV-1 reverse transcriptase.
J.Mol.Biol., 264, 1996
6PBR
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BU of 6pbr by Molmil
Catalytic domain of E.coli dihydrolipoamide succinyltransferase in I4 space group
Descriptor: Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, SODIUM ION
Authors:Andi, B, Soares, A.S, Shi, W, Fuchs, M.R, McSweeney, S, Liu, Q.
Deposit date:2019-06-14
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the dihydrolipoamide succinyltransferase catalytic domain from Escherichia coli in a novel crystal form: a tale of a common protein crystallization contaminant.
Acta Crystallogr.,Sect.F, 75, 2019
8FCX
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BU of 8fcx by Molmil
Cryo-EM structure of TnsC oligomer in type I-B CAST system
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, TnsC
Authors:Chang, L, Wang, S.
Deposit date:2022-12-01
Release date:2023-08-09
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
8U7X
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BU of 8u7x by Molmil
Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with inhibitor compound 24
Descriptor: (3S,4S)-8-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Mou, T.C.
Deposit date:2023-09-15
Release date:2024-01-03
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Discovery of 5-Azaquinoxaline Derivatives as Potent and Orally Bioavailable Allosteric SHP2 Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8FCW
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BU of 8fcw by Molmil
Cryo-EM structure of TnsC-DNA complex in type I-B CAST system
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (60-MER), MAGNESIUM ION, ...
Authors:Chang, L, Wang, S.
Deposit date:2022-12-01
Release date:2023-08-09
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
8FCV
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BU of 8fcv by Molmil
Cryo-EM structure of TnsC-TniQ-DNA complex in type I-B CAST system
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (60-MER), MAGNESIUM ION, ...
Authors:Chang, L, Wang, S.
Deposit date:2022-12-01
Release date:2023-08-09
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Molecular mechanism for Tn7-like transposon recruitment by a type I-B CRISPR effector.
Cell, 186, 2023
8U7W
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BU of 8u7w by Molmil
Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with inhibitor compound 7
Descriptor: 1-{6-[(2,3-dichlorophenyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Mou, T.C.
Deposit date:2023-09-15
Release date:2024-01-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of 5-Azaquinoxaline Derivatives as Potent and Orally Bioavailable Allosteric SHP2 Inhibitors.
Acs Med.Chem.Lett., 14, 2023
7AJV
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BU of 7ajv by Molmil
Structure of DYRK1A in complex with compound 38
Descriptor: 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Authors:Dokurno, P, Surgenor, A.E, Kotschy, A.
Deposit date:2020-09-29
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
6YHH
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BU of 6yhh by Molmil
X-ray Structure of Flavobacterium johnsoniae chitobiase (FjGH20)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-N-acetylglucosaminidase-like protein Glycoside hydrolase family 20, GLYCEROL
Authors:Mazurkewich, S, Helland, R, MacKenzie, A, Eijsink, V.G.H, Pope, P.B, Branden, G, Larsbrink, J.
Deposit date:2020-03-30
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights of the enzymes from the chitin utilization locus of Flavobacterium johnsoniae.
Sci Rep, 10, 2020
6PEX
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BU of 6pex by Molmil
An aldo keto reductase with 2-keto- L-gulonate reductase activity
Descriptor: aldo keto reductase
Authors:Yong, J, Crystal, S, Robert, D.H, John, B.B.
Deposit date:2019-06-21
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.581 Å)
Cite:An aldo-keto reductase with 2-keto-l-gulonate reductase activity functions in l-tartaric acid biosynthesis from vitamin C inVitis vinifera.
J.Biol.Chem., 294, 2019
7Q7S
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BU of 7q7s by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 4
Descriptor: 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
Authors:Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2021-11-09
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.
J.Med.Chem., 65, 2022
7Q7T
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BU of 7q7t by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 7
Descriptor: 1,2-ETHANEDIOL, 2-chloranyl-4-[[(2S)-2,7-dimethyl-5,6-bis(oxidanylidene)-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
Authors:Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2021-11-09
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.
J.Med.Chem., 65, 2022
8D0B
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BU of 8d0b by Molmil
Human CST-DNA polymerase alpha/primase preinitiation complex bound to 4xTEL-foldback template
Descriptor: CST complex subunit CTC1, CST complex subunit STN1, CST complex subunit TEN1, ...
Authors:He, Q, Lin, X, Chavez, B.L, Agrawal, S, Lusk, B.L, Lim, C.
Deposit date:2022-05-26
Release date:2022-06-22
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Structures of the human CST-Pol alpha-primase complex bound to telomere templates.
Nature, 608, 2022
6UW7
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BU of 6uw7 by Molmil
The crystal structure of FbiA from Mycobacterium smegmatis, Dehydro-F420-0 bound form
Descriptor: 2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxyprop-2-enoic acid, CALCIUM ION, GLYCEROL, ...
Authors:Grinter, R, Gillett, D, Cordero, P.R.F, Izore, T, Greening, C.
Deposit date:2019-11-04
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.342 Å)
Cite:Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
6VET
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BU of 6vet by Molmil
Human insulin analog: [GluB10,HisA8,ArgA9,TyrB20]-DOI
Descriptor: Insulin A chain, Insulin B chain
Authors:Menting, J.G, Chou, D.H.-C, Lawrence, M.C, Xiong, X.
Deposit date:2020-01-02
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:A structurally minimized yet fully active insulin based on cone-snail venom insulin principles.
Nat.Struct.Mol.Biol., 27, 2020
8D6F
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BU of 8d6f by Molmil
Crystal Structure of Human Myt1 Kinase domain Bounded with Eph receptor inhibitor / compound 41
Descriptor: (1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, SULFATE ION
Authors:Pau, V.P.T, Mao, D.Y.L, Mader, P, Orlicky, S, Sicheri, F.
Deposit date:2022-06-06
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.
J.Med.Chem., 65, 2022
7SXJ
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BU of 7sxj by Molmil
BIO-2895 (BRD0705) bound GSK3beta-axin complex
Descriptor: (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta, axin peptide
Authors:Chodaparambil, J.V.
Deposit date:2021-11-23
Release date:2023-06-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Elucidation of the GSK3 alpha Structure Informs the Design of Novel, Paralog-Selective Inhibitors.
Acs Chem Neurosci, 14, 2023

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