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4IH6
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BU of 4ih6 by Molmil
Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds
Descriptor: (5S)-3-(4-tert-butylbenzyl)-5-(propan-2-yl)imidazolidine-2,4-dione, RNA-directed RNA polymerase
Authors:Harris, S.F, Wong, A.
Deposit date:2012-12-18
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.
J.Med.Chem., 56, 2013
4IH7
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BU of 4ih7 by Molmil
Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds
Descriptor: 3-(3-tert-butylphenyl)pyridin-2(1H)-one, RNA-directed RNA polymerase, ZINC ION
Authors:Harris, S.F, Wong, A.
Deposit date:2012-12-18
Release date:2013-07-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.
J.Med.Chem., 56, 2013
7UPQ
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BU of 7upq by Molmil
Crystal structure of designed heterotrimeric assembly DHT03_1arm_A21/B/C
Descriptor: DHT03 protein A, DHT03 protein B, DHT03 protein C
Authors:Chang, Y, Bhabha, G, Ekiert, D.C.
Deposit date:2022-04-16
Release date:2022-12-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:De novo design of obligate ABC-type heterotrimeric proteins.
Nat.Struct.Mol.Biol., 29, 2022
7UPO
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BU of 7upo by Molmil
Crystal structure of designed heterotrimeric assembly DHT03
Descriptor: DHT03 protein A, DHT03 protein B, DHT03 protein C
Authors:Chang, Y, Bhabha, G, Ekiert, D.C.
Deposit date:2022-04-16
Release date:2022-12-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:De novo design of obligate ABC-type heterotrimeric proteins.
Nat.Struct.Mol.Biol., 29, 2022
7UPP
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BU of 7upp by Molmil
Crystal structure of designed heterotrimeric assembly DHT03_2arm_A21/B21/C long
Descriptor: DHT03 protein A, DHT03 protein B, DHT03 protein C
Authors:Chang, Y, Bhabha, G, Ekiert, D.C.
Deposit date:2022-04-16
Release date:2022-12-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:De novo design of obligate ABC-type heterotrimeric proteins.
Nat.Struct.Mol.Biol., 29, 2022
4IH5
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BU of 4ih5 by Molmil
Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds
Descriptor: 4-(2-phenylhydrazinyl)-1H-pyrazolo[3,4-d]pyrimidine, RNA-directed RNA polymerase
Authors:Harris, S.F, Ghate, M.
Deposit date:2012-12-18
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.
J.Med.Chem., 56, 2013
8FRE
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BU of 8fre by Molmil
Designed loop protein RBL4
Descriptor: 1,2-ETHANEDIOL, RBL4
Authors:Jude, K.M, Jiang, H, Baker, D, Garcia, K.C.
Deposit date:2023-01-06
Release date:2024-04-17
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De novo design of buttressed loops for sculpting protein functions.
Nat.Chem.Biol., 20, 2024
8FRF
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BU of 8frf by Molmil
Homodimeric designed loop protein RBL7_C2_3
Descriptor: MALONATE ION, RBL7_C2_3
Authors:Jude, K.M, Jiang, H, Baker, D, Garcia, K.C.
Deposit date:2023-01-06
Release date:2024-04-17
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:De novo design of buttressed loops for sculpting protein functions.
Nat.Chem.Biol., 20, 2024
8TCG
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BU of 8tcg by Molmil
Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ...
Authors:Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
Deposit date:2023-06-30
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
8YE0
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BU of 8ye0 by Molmil
Crystal structure of KgpF prenyltransferase
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LynF/TruF/PatF family peptide O-prenyltransferase, MAGNESIUM ION, ...
Authors:Hamada, K, Inoue, S, Goto, Y, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2024-02-21
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:De Novo Discovery of Pseudo-Natural Prenylated Macrocyclic Peptide Ligands.
Angew.Chem.Int.Ed.Engl., 2024
5G37
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BU of 5g37 by Molmil
MR structure of the binary mosquito larvicide BinAB at pH 5
Descriptor: 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN
Authors:Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
Deposit date:2016-04-24
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
2KI0
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BU of 2ki0 by Molmil
NMR Structure of a de novo designed beta alpha beta
Descriptor: DS119
Authors:Liang, H, Chen, H, Fan, K, Wei, P, Guo, X, Jin, C, Zeng, C, Tang, C, Lai, L.
Deposit date:2009-04-18
Release date:2009-10-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:De novo design of a beta alpha beta motif.
Angew.Chem.Int.Ed.Engl., 48, 2009
8TCF
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BU of 8tcf by Molmil
Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
Deposit date:2023-06-30
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
8BFE
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BU of 8bfe by Molmil
A dimeric de novo coiled-coil assembly: PK-2 (CC-TypeN-LaUbUcLd)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CC-TypeN-LaUbUcLd, ...
Authors:Kumar, P, Paterson, N.G, Woolfson, D.N.
Deposit date:2022-10-25
Release date:2022-11-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:De novo design of discrete, stable 3 10 -helix peptide assemblies.
Nature, 607, 2022
6UTV
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BU of 6utv by Molmil
E. coli sigma-S transcription initiation complex with a 6-nt RNA ("Fresh" crystal soaked with CTP, UTP, GTP, and ddATP for 150 seconds)
Descriptor: DIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Zuo, Y, De, S, Steitz, T.A.
Deposit date:2019-10-30
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
6UUA
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BU of 6uua by Molmil
E. coli sigma-S transcription initiation complex with a mismatching CTP ("Fresh" crystal soaked with CTP for 2 hours)
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Zuo, Y, De, S, Steitz, T.A.
Deposit date:2019-10-30
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.002 Å)
Cite:Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
6UU3
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BU of 6uu3 by Molmil
E. coli sigma-S transcription initiation complex with a 4-nt RNA and a CTP ("Old" crystal soaked with GTP, ATP, CTP, and ddTTP for 30 minutes)
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Zuo, Y, De, S, Steitz, T.A.
Deposit date:2019-10-30
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.002 Å)
Cite:Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
6UU6
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BU of 6uu6 by Molmil
E. coli sigma-S transcription initiation complex with a 4-nt RNA and a UTP ("Old" crystal soaked with UTP, ddCTP, and dinucleotide ApG for 30 minutes)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zuo, Y, De, S, Steitz, T.A.
Deposit date:2019-10-30
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.201 Å)
Cite:Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
6UU1
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BU of 6uu1 by Molmil
E. coli sigma-S transcription initiation complex with a 4-nt RNA and a CTP ("Fresh" crystal soaked with CTP, GTP, and ddTTP for 30 minutes)
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Zuo, Y, De, S, Steitz, T.A.
Deposit date:2019-10-30
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.097 Å)
Cite:Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
6UTZ
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BU of 6utz by Molmil
E. coli sigma-S transcription initiation complex with a 6-nt RNA ("Fresh" crystal soaked with CTP and UTP for 30 minutes)
Descriptor: DIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Zuo, Y, De, S, Steitz, T.A.
Deposit date:2019-10-30
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.803 Å)
Cite:Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
6UTY
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BU of 6uty by Molmil
E. coli sigma-S transcription initiation complex with a mismatching CTP ("Old" crystal soaked with CTP for 30 minutes)
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Zuo, Y, De, S, Steitz, T.A.
Deposit date:2019-10-30
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.15 Å)
Cite:Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
6UTX
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BU of 6utx by Molmil
E. coli sigma-S transcription initiation complex with an empty bubble ("Old" crystal)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zuo, Y, De, S, Steitz, T.A.
Deposit date:2019-10-30
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.05 Å)
Cite:Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
6UUB
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BU of 6uub by Molmil
E. coli sigma-S transcription initiation complex with a mismatching UTP ("Fresh" crystal soaked with UTP for 2 hours)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zuo, Y, De, S, Steitz, T.A.
Deposit date:2019-10-30
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.955 Å)
Cite:Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
6UU9
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BU of 6uu9 by Molmil
E. coli mutant sigma-S transcription initiation complex with an 8-nt RNA ("Fresh" mutant crystal soaked with GTP, UTP, CTP, and ddATP for 30 minutes)
Descriptor: 2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATE, DIPHOSPHATE, DNA-directed RNA polymerase subunit alpha, ...
Authors:Zuo, Y, De, S, Steitz, T.A.
Deposit date:2019-10-30
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (5.4 Å)
Cite:Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020
6UU4
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BU of 6uu4 by Molmil
E. coli sigma-S transcription initiation complex with a 3-nt RNA ("old" crystal soaked with GTP and dinucleotide GpA for 30 minutes)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Zuo, Y, De, S, Steitz, T.A.
Deposit date:2019-10-30
Release date:2020-08-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.305 Å)
Cite:Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation.
Iscience, 23, 2020

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PDB entries from 2024-08-28

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