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8OYV
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BU of 8oyv by Molmil
De novo designed Claudin fold CLF_4
Descriptor: De novo designed soluble Claudin
Authors:Pacesa, M, Correia, B.E.
Deposit date:2023-05-05
Release date:2023-10-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Computational design of soluble functional analogues of integral membrane proteins.
Biorxiv, 2024
8OYS
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BU of 8oys by Molmil
De novo designed TIM barrel fold TBF_24
Descriptor: CHLORIDE ION, De novo designed TIM-barrel
Authors:Pacesa, M, Correia, B.E.
Deposit date:2023-05-05
Release date:2023-10-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Computational design of soluble functional analogues of integral membrane proteins.
Biorxiv, 2024
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
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
7UE2
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BU of 7ue2 by Molmil
Crystal structure of designed helical repeat protein RPB_PLP3_R6 bound to PLPx6 peptide
Descriptor: PLPx6 peptide, RPB_PLP3_R6
Authors:Chang, Y, Ekiert, D.C, Bhabha, G.
Deposit date:2022-03-21
Release date:2023-03-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:De novo design of modular peptide-binding proteins by superhelical matching.
Nature, 616, 2023
7UDK
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BU of 7udk by Molmil
Crystal structure of designed helical repeat protein RPB_LRP2_R4 bound to LRPx4 peptide
Descriptor: 4xLRP, Designed helical repeat protein (DHR) RPB_LRP2_R4
Authors:Chang, Y, Redler, R.L, Bhabha, G, Ekiert, D.C.
Deposit date:2022-03-20
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:De novo design of modular peptide-binding proteins by superhelical matching.
Nature, 616, 2023
7UDO
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BU of 7udo by Molmil
Crystal structure of designed helical repeat protein RPB_LRP2_R4 (proteolysis fragment?), forming pseudopolymeric filaments
Descriptor: 1,2-ETHANEDIOL, Designed helical repeat protein (DHR) RPB_LRP2_R4, PHOSPHATE ION
Authors:Redler, R.L, Chang, Y, Bhabha, G, Ekiert, D.C.
Deposit date:2022-03-20
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:De novo design of modular peptide-binding proteins by superhelical matching.
Nature, 616, 2023
7UDL
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BU of 7udl by Molmil
Crystal structure of designed helical repeat protein RPB_PLP1_R6 bound to PLPx6 peptide
Descriptor: 1,2-ETHANEDIOL, 6xPLP Peptide, Designed helical repeat protein (DHR) RPB_PLP1_R6
Authors:Chang, Y, Redler, R.L, Bhabha, G, Ekiert, D.C.
Deposit date:2022-03-20
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:De novo design of modular peptide-binding proteins by superhelical matching.
Nature, 616, 2023
7UDN
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BU of 7udn by Molmil
Crystal structure of designed helical repeat protein RPB_PLP1_R6 in alternative conformation 2
Descriptor: Designed helical repeat protein (DHR) RPB_PLP1_R6
Authors:Chang, Y, Redler, R.L, Bhabha, G, Ekiert, D.C.
Deposit date:2022-03-20
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:De novo design of modular peptide-binding proteins by superhelical matching.
Nature, 616, 2023
7UDM
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BU of 7udm by Molmil
Crystal structure of designed helical repeat protein RPB_PLP1_R6 in alternative conformation 1 (with peptide)
Descriptor: 6xPLP, Designed helical repeat protein (DHR) RPB_PLP1_R6
Authors:Chang, Y, Redler, R.L, Bhabha, G, Ekiert, D.C.
Deposit date:2022-03-20
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:De novo design of modular peptide-binding proteins by superhelical matching.
Nature, 616, 2023
7JZU
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BU of 7jzu by Molmil
SARS-CoV-2 spike in complex with LCB1 (local refinement of the RBD and LCB1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, LCB1, 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 (3.1 Å)
Cite:De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
3I1C
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BU of 3i1c by Molmil
Crystal Structure of a Novel Engineered Diels-Alderase: DA_20_00_A74I
Descriptor: Diisopropyl-fluorophosphatase, GLYCEROL
Authors:Lambert, A.R, Stoddard, B.L.
Deposit date:2009-06-26
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction.
Science, 329, 2010
3IIV
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BU of 3iiv by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
Descriptor: KE7 KE7_R7_1/3H, MAGNESIUM ION
Authors:Khersonsky, O, Dym, O, Tawfik, D.S.
Deposit date:2009-08-03
Release date:2010-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
2N44
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BU of 2n44 by Molmil
EC-NMR Structure of Escherichia coli Maltose-binding protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data. Northeast Structural Genomics Consortium target ER690
Descriptor: Maltose-binding periplasmic protein
Authors:Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-06-16
Release date:2015-07-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015
2N45
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BU of 2n45 by Molmil
EC-NMR Structure of Escherichia coli Maltose-binding protein Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data with a second set of RDC data simulated for an alternative alignment tensor. Northeast Structural Genomics Consortium target ER690
Descriptor: Maltose-binding periplasmic protein
Authors:Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-06-17
Release date:2015-07-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015
2N47
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BU of 2n47 by Molmil
EC-NMR Structure of Synechocystis sp. PCC 6803 Slr1183 Determined by Combining Evolutionary Couplings (EC) and Sparse NMR Data. Northeast Structural Genomics Consortium target SgR145
Descriptor: Slr1183 protein
Authors:Tang, Y, Huang, Y.J, Hopf, T.A, Sander, C, Marks, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-06-17
Release date:2015-07-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein structure determination by combining sparse NMR data with evolutionary couplings.
Nat.Methods, 12, 2015
5VL4
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BU of 5vl4 by Molmil
Accidental minimum contact crystal lattice formed by a redesigned protein oligomer
Descriptor: T33-53H-B
Authors:Cannon, K.A, Cascio, D, Sawaya, M.R, Park, R, Boyken, S, King, N, Yeates, T.
Deposit date:2017-04-24
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Design and structure of two new protein cages illustrate successes and ongoing challenges in protein engineering.
Protein Sci., 29, 2020
3IIO
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BU of 3iio by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
Descriptor: KE07
Authors:Khersonsky, O, Dym, O, Tawfik, D.S.
Deposit date:2009-08-03
Release date:2010-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
3IIP
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BU of 3iip by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
Descriptor: KE7 R6 3/7F, POLYETHYLENE GLYCOL (N=34)
Authors:Khersonsky, O, Dym, O, Tawfik, D.S.
Deposit date:2009-08-03
Release date:2010-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
6DG4
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BU of 6dg4 by Molmil
Structure of the Chaetomium thermophilum Ulp1-like SUMO protease catalytic domain
Descriptor: GLYCEROL, SULFATE ION, Ulp1-like SUMO protease
Authors:Lima, C.D, Baytshtok, V.
Deposit date:2018-05-16
Release date:2018-07-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.442 Å)
Cite:Discovery and engineering of enhanced SUMO protease enzymes.
J. Biol. Chem., 293, 2018
2LAF
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BU of 2laf by Molmil
NMR solution structure of the N-terminal domain of the E. coli lipoprotein BamC
Descriptor: Lipoprotein 34
Authors:Pardi, A, Warner, L.
Deposit date:2011-03-11
Release date:2011-06-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of the BamC Two-Domain Protein Obtained by Rosetta with a Limited NMR Data Set.
J.Mol.Biol., 411, 2011
6MOH
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BU of 6moh by Molmil
Dimeric DARPin C_R3 complex with EpoR
Descriptor: Dimeric DARPin E2C (C_R3), Erythropoietin receptor, PHOSPHATE ION, ...
Authors:Jude, K.M, Mohan, K, Garcia, K.C.
Deposit date:2018-10-04
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
6MOI
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BU of 6moi by Molmil
Dimeric DARPin C_angle_R5 complex with EpoR
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dimeric DARPing CCR5 (C_angle_R5), ...
Authors:Jude, K.M, Mohan, K, Garcia, K.C, Guo, Y.
Deposit date:2018-10-04
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.065 Å)
Cite:Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
6MOG
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BU of 6mog by Molmil
Dimeric DARPin C_R3
Descriptor: 1,2-ETHANEDIOL, DARPin C_R3, TRIETHYLENE GLYCOL
Authors:Jude, K.M, Mohan, K, Garcia, K.C.
Deposit date:2018-10-04
Release date:2019-06-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
6MOK
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BU of 6mok by Molmil
Dimeric DARPin A_distance_R7 complex with EpoR
Descriptor: Dimeric DARPin ANR7 (A_distance_r7), Erythropoietin receptor
Authors:Jude, K.M, Mohan, K, Garcia, K.C, Guo, Y.
Deposit date:2018-10-04
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (5.101 Å)
Cite:Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019

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