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6R1X
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BU of 6r1x by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 7a
Descriptor: Cereblon isoform 4, ZINC ION, ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-15
Release date:2019-08-07
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
6R1C
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BU of 6r1c by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with compound 12a
Descriptor: 4-[[4-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid, ASPARTIC ACID, CHLORIDE ION, ...
Authors:Heim, C, Hartmann, M.D.
Deposit date:2019-03-14
Release date:2019-08-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:De-Novo Design of Cereblon (CRBN) Effectors Guided by Natural Hydrolysis Products of Thalidomide Derivatives.
J.Med.Chem., 62, 2019
7QYD
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BU of 7qyd by Molmil
mosquitocidal Cry11Ba determined at pH 6.5 from naturally-occurring nanocrystals by Serial femtosecond crystallography
Descriptor: Pesticidal crystal protein Cry11Ba
Authors:De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A.
Deposit date:2022-01-28
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7QX4
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BU of 7qx4 by Molmil
mosquitocidal Cry11Aa determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
Descriptor: Pesticidal crystal protein Cry11Aa
Authors:De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
Deposit date:2022-01-26
Release date:2022-07-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7QX6
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BU of 7qx6 by Molmil
mosquitocidal Cry11Aa-E583Q determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
Descriptor: Pesticidal crystal protein Cry11Aa
Authors:De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
Deposit date:2022-01-26
Release date:2022-07-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7QX5
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BU of 7qx5 by Molmil
mosquitocidal Cry11Aa-Y449F determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
Descriptor: Pesticidal crystal protein Cry11Aa
Authors:De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
Deposit date:2022-01-26
Release date:2022-07-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7QX7
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BU of 7qx7 by Molmil
mosquitocidal Cry11Aa-F17Y determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
Descriptor: Pesticidal crystal protein Cry11Aa
Authors:De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
Deposit date:2022-01-26
Release date:2022-07-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7R1E
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BU of 7r1e by Molmil
Mosquitocidal Cry11Ba determined at pH 10.4 from naturally-occurring nanocrystals by Serial femtosecond crystallography
Descriptor: GLYCEROL, Pesticidal crystal protein Cry11Ba
Authors:Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A.
Deposit date:2022-02-02
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
4PEK
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BU of 4pek by Molmil
Crystal structure of a computationally designed retro-aldolase, RA114.3
Descriptor: Retro-aldolase
Authors:Bhabha, G, Zhang, X, Liu, Y, Ekiert, D.C.
Deposit date:2014-04-23
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:De novo-designed enzymes as small-molecule-regulated fluorescence imaging tags and fluorescent reporters.
J.Am.Chem.Soc., 136, 2014
7L33
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BU of 7l33 by Molmil
X-ray Structure of a Cu-Bound De Novo Designed Peptide Trimer
Descriptor: COPPER (II) ION, Cu-3SCC
Authors:Chakraborty, S, Wawrzak, Z, Prasad, P, Mitra, S, Prakash, D.
Deposit date:2020-12-17
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:De Novo Design of a Self-Assembled Artificial Copper Peptide that Activates and Reduces Peroxide
Acs Catalysis, 11, 2021
7JRQ
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BU of 7jrq by Molmil
Crystallographically Characterized De Novo Designed Mn-Diphenylporphyrin Binding Protein
Descriptor: CHLORIDE ION, GLYCEROL, MPP1, ...
Authors:Mann, S.I, DeGrado, W.F.
Deposit date:2020-08-12
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:De Novo Design, Solution Characterization, and Crystallographic Structure of an Abiological Mn-Porphyrin-Binding Protein Capable of Stabilizing a Mn(V) Species.
J.Am.Chem.Soc., 143, 2021
6CZH
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BU of 6czh by Molmil
Structure of a redesigned beta barrel, mFAP0, bound to DFHBI
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP0
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
4PEJ
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BU of 4pej by Molmil
Crystal structure of a computationally designed retro-aldolase, RA110.4 (Cys free)
Descriptor: Retro-aldolase
Authors:Bhabha, G, Zhang, X, Liu, Y, Ekiert, D.C.
Deposit date:2014-04-23
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:De novo-designed enzymes as small-molecule-regulated fluorescence imaging tags and fluorescent reporters.
J.Am.Chem.Soc., 136, 2014
6CZG
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BU of 6czg by Molmil
Structure of a redesigned beta barrel, b11L5F_LGL
Descriptor: b11L5F_LGL
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZJ
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BU of 6czj by Molmil
Structure of a redesigned beta barrel, b10
Descriptor: SULFATE ION, b10
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
7LMX
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BU of 7lmx by Molmil
A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE
Descriptor: Integrin inhibitor
Authors:Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
Deposit date:2021-02-06
Release date:2022-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 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
7LMV
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BU of 7lmv by Molmil
SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6
Descriptor: Integrin inhibitor
Authors:Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
Deposit date:2021-02-05
Release date:2022-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 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
6CZI
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BU of 6czi by Molmil
Structure of a redesigned beta barrel, mFAP1, bound to DFHBI
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP1
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
7K3H
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BU of 7k3h by Molmil
Crystal structure of deep network hallucinated protein 0217
Descriptor: Network hallucinated protein 0217
Authors:Pellock, S.J, Anishchenko, I, Chidyausiku, T.M, Bera, A.K, DiMaio, F, Baker, D.
Deposit date:2020-09-11
Release date:2021-12-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:De novo protein design by deep network hallucination.
Nature, 600, 2021
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
7M0Q
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BU of 7m0q by Molmil
Crystal structure of deep network hallucinated protein 0738_mod
Descriptor: Network hallucinated protein 0738_mod
Authors:Pellock, S.J, Bera, A.K, Anishchenko, I, Baker, D.
Deposit date:2021-03-11
Release date:2021-12-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:De novo protein design by deep network hallucination.
Nature, 600, 2021
7KL9
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BU of 7kl9 by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with the ACE2 protein decoy, CTC-445.2 (State 4)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CTC-445.2 inhibitor, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2020-10-29
Release date:2020-11-11
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:De novo design of potent and resilient hACE2 decoys to neutralize SARS-CoV-2.
Science, 370, 2020
7JZN
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BU of 7jzn by Molmil
SARS-CoV-2 spike in complex with LCB3 (2RBDs open)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LCB3, ...
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-02
Release date:2020-09-23
Last modified:2020-11-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
7JZL
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BU of 7jzl by Molmil
SARS-CoV-2 spike in complex with LCB1 (2RBDs open)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LCB1, ...
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-02
Release date:2020-09-23
Last modified:2020-11-04
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
7JZM
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BU of 7jzm by Molmil
SARS-CoV-2 spike in complex with LCB3 (local refinement of the RBD and LCB3)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, LCB3, Spike glycoprotein
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-02
Release date:2020-09-23
Last modified:2020-11-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020

223790

數據於2024-08-14公開中

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