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1R9V
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BU of 1r9v by Molmil
NMR Structure of a D,L-Alternating Dodecamer of Norleucine
Descriptor: BOC-(D-NLE-L-NLE)4-D-NLE(METHYL)-L-NLE-D-NLE-L-NLE METHYL ESTER
Authors:Navarro, E, Celda, B.
Deposit date:2003-10-31
Release date:2003-12-02
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of a D,L-Alternating Oligonorleucine as a Model of Beta-Helix
Biopolymers, 59, 2001
8BI2
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BU of 8bi2 by Molmil
Syk kinase domain in complex with macrocyclic inhibitor 20a
Descriptor: 10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one, Tyrosine-protein kinase SYK
Authors:Read, J.A, Patel, J.
Deposit date:2022-11-01
Release date:2023-06-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.508 Å)
Cite:Optimization of a series of novel, potent and selective Macrocyclic SYK inhibitors.
Bioorg.Med.Chem.Lett., 91, 2023
4ZJV
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BU of 4zjv by Molmil
crystal structure of EGFR kinase domain in complex with Mitogen-inducible gene 6 protein
Descriptor: ERBB receptor feedback inhibitor 1, Epidermal growth factor receptor
Authors:Eck, M.J, Park, E, Lee, B.
Deposit date:2015-04-29
Release date:2015-08-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6.
Nat.Struct.Mol.Biol., 22, 2015
7AYY
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BU of 7ayy by Molmil
Structure of the human 8-oxoguanine DNA Glycosylase hOGG1 in complex with activator TH10785
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, N-glycosylase/DNA lyase, ...
Authors:Masuyer, G, Davies, J.R, Stenmark, P.
Deposit date:2020-11-13
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
7AYZ
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BU of 7ayz by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with activator TH10785
Descriptor: N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine
Authors:Masuyer, G, Davies, J.R, Stenmark, P.
Deposit date:2020-11-13
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
7AZ0
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BU of 7az0 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with TH12161
Descriptor: 2-cyclopropyl-~{N}-(4-iodophenyl)quinazolin-4-amine, N-glycosylase/DNA lyase, NICKEL (II) ION
Authors:Davies, J.R, Masuyer, G, Stenmark, P.
Deposit date:2020-11-13
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
6QI5
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BU of 6qi5 by Molmil
Near Atomic Structure of an Atadenovirus Shows a possible gene duplication event and Intergenera Variations in Cementing Proteins
Descriptor: Hexon protein, PIIIa, Penton protein, ...
Authors:Condezo, G.N, Marabini, R, Gomez-Blanco, J, SanMartin, C.
Deposit date:2019-01-17
Release date:2020-08-05
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Near-atomic structure of an atadenovirus reveals a conserved capsid-binding motif and intergenera variations in cementing proteins.
Sci Adv, 7, 2021
8ODZ
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BU of 8odz by Molmil
Cryo-EM structure of a pre-dimerized murine IL-12 complete extracellular signaling complex (Class 1).
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 receptor subunit beta-1,Death-associated protein kinase 1, Interleukin-12 receptor subunit beta-2,Calmodulin-1, ...
Authors:Felix, J, Bloch, Y, Savvides, S.N.
Deposit date:2023-03-10
Release date:2024-02-07
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23.
Nat.Struct.Mol.Biol., 31, 2024
8OE4
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BU of 8oe4 by Molmil
Cryo-EM structure of a pre-dimerized human IL-23 complete extracellular signaling complex.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 receptor subunit beta-1,Death-associated protein kinase 1, ...
Authors:Bloch, Y, Felix, J, Savvides, S.N.
Deposit date:2023-03-10
Release date:2024-02-07
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23.
Nat.Struct.Mol.Biol., 31, 2024
8ODX
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BU of 8odx by Molmil
Interleukin 12 receptor subunit beta-1 Fn domains in complex with antagonistic FAb4 fragment and VHH.
Descriptor: FAb4 Heavy chain, FAb4 Light chain, Interleukin-12 receptor subunit beta-1, ...
Authors:Bloch, Y, Savvides, S.N.
Deposit date:2023-03-09
Release date:2024-02-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23.
Nat.Struct.Mol.Biol., 31, 2024
8OE0
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BU of 8oe0 by Molmil
Cryo-EM structure of a pre-dimerized murine IL-12 complete extracellular signaling complex (Class 2).
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 receptor subunit beta-1,Death-associated protein kinase 1, ...
Authors:Felix, J, Bloch, Y, Savvides, S.N.
Deposit date:2023-03-10
Release date:2024-02-07
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23.
Nat.Struct.Mol.Biol., 31, 2024
2H6Y
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BU of 2h6y by Molmil
Crystal Structure of Thioredoxin Mutant E48D in Hexagonal (p61) Space Group
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin
Authors:Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
Deposit date:2006-06-01
Release date:2007-05-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Thioredoxin Mutant E48D in Hexagonal (p61) Space Group
To be Published
2H71
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BU of 2h71 by Molmil
Crystal Structure of Thioredoxin Mutant D47E in Hexagonal (p61) Space Group
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin
Authors:Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M.
Deposit date:2006-06-01
Release date:2007-05-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Thioredoxin Mutant D47E in Hexagonal (p61) Space Group
To be Published
8P9Y
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BU of 8p9y by Molmil
SARS-CoV-2 S protein S:D614G mutant in 3-down with binding site of an entry inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ...
Authors:Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L.
Deposit date:2023-06-06
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:C-2 Thiophenyl Tryptophan Trimers Inhibit Cellular Entry of SARS-CoV-2 through Interaction with the Viral Spike (S) Protein.
J.Med.Chem., 66, 2023
8P99
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BU of 8p99 by Molmil
SARS-CoV-2 S-protein:D614G mutant in 1-up conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1,Spike glycoprotein
Authors:Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L.
Deposit date:2023-06-05
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:C-2 Thiophenyl Tryptophan Trimers Inhibit Cellular Entry of SARS-CoV-2 through Interaction with the Viral Spike (S) Protein.
J.Med.Chem., 66, 2023
8PAS
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BU of 8pas by Molmil
Crystal structure of MAP4K1 with a SMOL inhibitor
Descriptor: 4-[2,6-bis(fluoranyl)-4-(3-morpholin-4-ylpropylcarbamoylamino)phenoxy]-~{N}-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1~{H}-pyrrolo[2,3-b]pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Friberg, A.
Deposit date:2023-06-08
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
8PAR
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BU of 8par by Molmil
Crystal structure of human MAP4K1 with an inhibitor, BAY-405
Descriptor: GLYCEROL, Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[3,5-bis(fluoranyl)-4-[[3-[1-(trifluoromethyl)cyclopropyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-2,9-dioxa-4-azaspiro[5.5]undec-3-en-3-amine
Authors:Schaefer, M.
Deposit date:2023-06-08
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
6ZV3
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BU of 6zv3 by Molmil
TFIIS N-terminal domain (TND) from human MED26
Descriptor: Mediator of RNA polymerase II transcription subunit 26
Authors:Veverka, V.
Deposit date:2020-07-23
Release date:2021-12-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A ubiquitous disordered protein interaction module orchestrates transcription elongation.
Science, 374, 2021
6ZV1
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BU of 6zv1 by Molmil
TFIIS N-terminal domain (TND) from human IWS1
Descriptor: Protein IWS1 homolog
Authors:Veverka, V.
Deposit date:2020-07-23
Release date:2021-12-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A ubiquitous disordered protein interaction module orchestrates transcription elongation.
Science, 374, 2021
6ZV2
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BU of 6zv2 by Molmil
TFIIS N-terminal domain (TND) from human PPP1R10
Descriptor: Serine/threonine-protein phosphatase 1 regulatory subunit 10
Authors:Veverka, V.
Deposit date:2020-07-23
Release date:2021-12-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A ubiquitous disordered protein interaction module orchestrates transcription elongation.
Science, 374, 2021
6ZUZ
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BU of 6zuz by Molmil
TFIIS N-terminal domain (TND) from human Elongin-A
Descriptor: Elongin-A
Authors:Veverka, V.
Deposit date:2020-07-23
Release date:2021-12-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A ubiquitous disordered protein interaction module orchestrates transcription elongation.
Science, 374, 2021
6ZV4
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BU of 6zv4 by Molmil
Human TFIIS N-terminal domain in complex with IWS1
Descriptor: Transcription elongation factor A protein 1,Protein IWS1 homolog
Authors:Veverka, V.
Deposit date:2020-07-23
Release date:2021-12-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A ubiquitous disordered protein interaction module orchestrates transcription elongation.
Science, 374, 2021
6ZV0
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BU of 6zv0 by Molmil
TFIIS N-terminal domain (TND) from human LEDGF/p75
Descriptor: PC4 and SFRS1-interacting protein
Authors:Veverka, V.
Deposit date:2020-07-23
Release date:2021-12-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A ubiquitous disordered protein interaction module orchestrates transcription elongation.
Science, 374, 2021
6ZUY
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BU of 6zuy by Molmil
Human TFIIS N-terminal domain (TND)
Descriptor: Transcription elongation factor A protein 1
Authors:Veverka, V.
Deposit date:2020-07-23
Release date:2021-12-01
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A ubiquitous disordered protein interaction module orchestrates transcription elongation.
Science, 374, 2021
6SPF
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BU of 6spf by Molmil
Pseudomonas aeruginosa 70s ribosome from an aminoglycoside resistant clinical isolate
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Halfon, Y, Jimenez-Fernande, A, La Ros, R, Espinos, R, Krogh Johansen, H, Matzov, D, Eyal, Z, Bashan, A, Zimmerman, E, Belousoff, M, Molin, S, Yonath, A.
Deposit date:2019-09-01
Release date:2019-10-23
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structure ofPseudomonas aeruginosaribosomes from an aminoglycoside-resistant clinical isolate.
Proc.Natl.Acad.Sci.USA, 116, 2019

223790

數據於2024-08-14公開中

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