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8RWB
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BU of 8rwb by Molmil
Crystal structure of ULBP6 in complex with a blocking antibody
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bharill, S, Chen, I, Ivic, N, Bahrami Dizicheh, Z, Wu, Y, Doamekpor, S, Koenig, P, Fuh, G.
Deposit date:2024-02-02
Release date:2025-02-12
Last modified:2025-05-07
Method:X-RAY DIFFRACTION (2.307 Å)
Cite:23ME-01473, an Fc Effector-Enhanced Anti-ULBP6/2/5 Antibody, Restores NK Cell-Mediated Antitumor Immunity through NKG2D and Fc gamma RIIIa Activation.
Cancer Res Commun, 5, 2025
7NB4
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BU of 7nb4 by Molmil
Structure of Mcl-1 complex with compound 1
Descriptor: (2~{R})-2-[[5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Induced myeloid leukemia cell differentiation protein Mcl-1, ...
Authors:Dokurno, P, Surgenor, A.E, Kotschy, A.
Deposit date:2021-01-25
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues.
Acs Omega, 6, 2021
7NB7
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BU of 7nb7 by Molmil
Structure of Mcl-1 complex with compound 6b
Descriptor: (2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Dokurno, P, Surgenor, A.E, Kotschy, A.
Deposit date:2021-01-25
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:The Effect of Core Replacement on S64315, a Selective MCL-1 Inhibitor, and Its Analogues.
Acs Omega, 6, 2021
4V2Y
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BU of 4v2y by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thalidomide
Descriptor: CEREBLON ISOFORM 4, S-Thalidomide, ZINC ION
Authors:Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2014-10-15
Release date:2014-12-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
4V30
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BU of 4v30 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Lenalidomide
Descriptor: CEREBLON ISOFORM 4, S-Lenalidomide, ZINC ION
Authors:Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2014-10-15
Release date:2014-12-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
4V31
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BU of 4v31 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Deoxyuridine
Descriptor: 2'-DEOXYURIDINE, CEREBLON ISOFORM 4, CITRATE ANION, ...
Authors:Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2014-10-15
Release date:2014-12-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
4V2Z
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BU of 4v2z by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Pomalidomide
Descriptor: CEREBLON ISOFORM 4, S-Pomalidomide, ZINC ION
Authors:Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2014-10-15
Release date:2014-12-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
9MRB
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BU of 9mrb by Molmil
The designed serine hydrolase known as dad_t1
Descriptor: TETRAETHYLENE GLYCOL, dad_t1
Authors:Pellock, S.J, Lauko, A, Bera, A, Baker, D.
Deposit date:2025-01-07
Release date:2025-02-19
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Computational design of serine hydrolases.
Science, 388, 2025
4V32
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BU of 4v32 by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thalidomide, Y101F mutant
Descriptor: CEREBLON ISOFORM 4, S-Thalidomide, ZINC ION
Authors:Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2014-10-15
Release date:2014-12-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Thalidomide Mimics Uridine Binding to an Aromatic Cage in Cereblon.
J.Struct.Biol., 188, 2014
3QA9
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BU of 3qa9 by Molmil
Crystal Structure of Prb (PH1109 protein redesigned for binding)
Descriptor: CoA binding domain protein
Authors:Spiegel, P.C.
Deposit date:2011-01-10
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
1YFM
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BU of 1yfm by Molmil
RECOMBINANT YEAST FUMARASE
Descriptor: FUMARASE
Authors:Weaver, T.M, Lees, M.R, Banaszak, L.J.
Deposit date:1998-01-07
Release date:1998-07-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of native and recombinant yeast fumarase.
J.Mol.Biol., 280, 1998
9DEE
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BU of 9dee by Molmil
The designed serine hydrolase known as super
Descriptor: serine hydrolase
Authors:Pellock, S.J, Lauko, A, Bera, A.K.
Deposit date:2024-08-28
Release date:2025-02-19
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Computational design of serine hydrolases.
Science, 388, 2025
9DEH
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BU of 9deh by Molmil
The designed serine hydrolase known as win31
Descriptor: L(+)-TARTARIC ACID, TETRAETHYLENE GLYCOL, Win31
Authors:Pellock, S.J, Lauko, A, Bera, A.K.
Deposit date:2024-08-28
Release date:2025-02-19
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Computational design of serine hydrolases.
Science, 388, 2025
9DED
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BU of 9ded by Molmil
Designed protein n8
Descriptor: Design protein n8
Authors:Pellock, S.J, Lauko, A, Bera, A.
Deposit date:2024-08-28
Release date:2025-02-19
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Computational design of serine hydrolases.
Science, 388, 2025
9DEG
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BU of 9deg by Molmil
The designed serine hydrolase known as win1
Descriptor: ACETATE ION, Win1
Authors:Lauko, A, Pellock, S.J, Bera, A.K.
Deposit date:2024-08-28
Release date:2025-02-19
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Computational design of serine hydrolases.
Science, 388, 2025
9DEF
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BU of 9def by Molmil
The designed serine hydrolase known as win
Descriptor: ACETIC ACID, CHLORIDE ION, Win
Authors:Pellock, S.J, Lauko, A, Bera, A.K.
Deposit date:2024-08-28
Release date:2025-02-19
Last modified:2025-04-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Computational design of serine hydrolases.
Science, 388, 2025
8VC8
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BU of 8vc8 by Molmil
Crystal structure of heme-loaded design: HEM_3.C9
Descriptor: HEM_3.C9, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Kalvet, I, Bera, A.K, Baker, D.
Deposit date:2023-12-13
Release date:2024-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Generalized biomolecular modeling and design with RoseTTAFold All-Atom.
Science, 384, 2024
8VEI
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BU of 8vei by Molmil
De novo designed colic acid binder CHD_r1
Descriptor: CHD_r1
Authors:Bera, A.K, An, L, Baker, D.
Deposit date:2023-12-19
Release date:2024-07-17
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Binding and sensing diverse small molecules using shape-complementary pseudocycles.
Science, 385, 2024
8VEJ
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BU of 8vej by Molmil
De novo designed cholic acid binder: CHD_buttress
Descriptor: CHD_buttress, CHOLIC ACID
Authors:Bera, A.K, Tran, L, Kang, A, Baker, D.
Deposit date:2023-12-19
Release date:2024-07-17
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Binding and sensing diverse small molecules using shape-complementary pseudocycles.
Science, 385, 2024
4C46
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BU of 4c46 by Molmil
ANDREI-N-LVPAS fused to GCN4 adaptors
Descriptor: BROMIDE ION, GENERAL CONTROL PROTEIN GCN4
Authors:Albrecht, R, Alva, V, Ammelburg, M, Baer, K, Basina, E, Boichenko, I, Bonhoeffer, F, Braun, V, Chaubey, M, Chauhan, N, Chellamuthu, V.R, Coles, M, Deiss, S, Ewers, C.P, Forouzan, D, Fuchs, A, Groemping, Y, Hartmann, M.D, Hernandez Alvarez, B, Jeganantham, A, Kalev, I, Koenninger, U, Koiwai, K, Kopec, K.O, Korycinski, M, Laudenbach, B, Lehmann, K, Leo, J.C, Linke, D, Marialke, J, Martin, J, Mechelke, M, Michalik, M, Noll, A, Patzer, S.I, Scharfenberg, F, Schueckel, M, Shahid, S.A, Sulz, E, Ursinus, A, Wuertenberger, S, Zhu, H.
Deposit date:2013-08-30
Release date:2013-09-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Your Personalized Protein Structure: Andrei N. Lupas Fused to GCN4 Adaptors.
J.Struct.Biol., 186, 2014
8DT0
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BU of 8dt0 by Molmil
Scaffolding protein functional sites using deep learning
Descriptor: Scaffolding protein functional sites
Authors:Bera, A.K, Watson, J, Baker, D.
Deposit date:2022-07-24
Release date:2022-08-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Scaffolding protein functional sites using deep learning.
Science, 377, 2022
8CYK
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BU of 8cyk by Molmil
Crystal structure of hallucinated protein HALC1_878
Descriptor: HALC1_878
Authors:Ragotte, R.J, Bera, A.K, Milles, L.F, Wicky, B.I.M, Baker, D.
Deposit date:2022-05-23
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Robust deep learning-based protein sequence design using ProteinMPNN.
Science, 378, 2022
8UQF
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BU of 8uqf by Molmil
Crystal structure of designed cortisol-binding protein hcy129_mpnn5
Descriptor: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, SULFATE ION, designed cortisol-binding protein hcy129_mpnn5
Authors:Pellock, S.J, Bera, A.
Deposit date:2023-10-23
Release date:2024-11-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Small molecule binding and sensing with a designed protein family
To Be Published
5AMK
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BU of 5amk by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in multiple conformations, hexagonal crystal form
Descriptor: CEREBLON ISOFORM 4, DIMETHYL SULFOXIDE, S-Thalidomide, ...
Authors:Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2015-03-10
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Dynamics of the Cereblon Ligand Binding Domain.
Plos One, 10, 2015
5AMJ
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BU of 5amj by Molmil
Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thalidomide, Wash II structure
Descriptor: CEREBLON ISOFORM 4, PHOSPHATE ION, S-Thalidomide, ...
Authors:Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
Deposit date:2015-03-10
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Dynamics of the Cereblon Ligand Binding Domain.
Plos One, 10, 2015

238582

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