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8RWB
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BU of 8rwb by Molmil
Crystal structure of ULBP6 in complex with a blocking antibody
分子名称: 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, ...
著者Bharill, S, Chen, I, Ivic, N, Bahrami Dizicheh, Z, Wu, Y, Doamekpor, S, Koenig, P, Fuh, G.
登録日2024-02-02
公開日2025-02-12
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献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
分子名称: (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, ...
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: (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
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献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
分子名称: CEREBLON ISOFORM 4, S-Thalidomide, ZINC ION
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2014-10-15
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
分子名称: CEREBLON ISOFORM 4, S-Lenalidomide, ZINC ION
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2014-10-15
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
分子名称: 2'-DEOXYURIDINE, CEREBLON ISOFORM 4, CITRATE ANION, ...
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2014-10-15
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: CEREBLON ISOFORM 4, S-Pomalidomide, ZINC ION
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2014-10-15
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献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
分子名称: TETRAETHYLENE GLYCOL, dad_t1
著者Pellock, S.J, Lauko, A, Bera, A, Baker, D.
登録日2025-01-07
公開日2025-02-19
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: CEREBLON ISOFORM 4, S-Thalidomide, ZINC ION
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2014-10-15
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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)
分子名称: CoA binding domain protein
著者Spiegel, P.C.
登録日2011-01-10
公開日2011-04-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: FUMARASE
著者Weaver, T.M, Lees, M.R, Banaszak, L.J.
登録日1998-01-07
公開日1998-07-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: serine hydrolase
著者Pellock, S.J, Lauko, A, Bera, A.K.
登録日2024-08-28
公開日2025-02-19
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献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
分子名称: L(+)-TARTARIC ACID, TETRAETHYLENE GLYCOL, Win31
著者Pellock, S.J, Lauko, A, Bera, A.K.
登録日2024-08-28
公開日2025-02-19
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Computational design of serine hydrolases.
Science, 388, 2025
9DED
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BU of 9ded by Molmil
Designed protein n8
分子名称: Design protein n8
著者Pellock, S.J, Lauko, A, Bera, A.
登録日2024-08-28
公開日2025-02-19
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献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
分子名称: ACETATE ION, Win1
著者Lauko, A, Pellock, S.J, Bera, A.K.
登録日2024-08-28
公開日2025-02-19
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献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
分子名称: ACETIC ACID, CHLORIDE ION, Win
著者Pellock, S.J, Lauko, A, Bera, A.K.
登録日2024-08-28
公開日2025-02-19
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
分子名称: HEM_3.C9, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Kalvet, I, Bera, A.K, Baker, D.
登録日2023-12-13
公開日2024-03-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: CHD_r1
著者Bera, A.K, An, L, Baker, D.
登録日2023-12-19
公開日2024-07-17
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献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
分子名称: CHD_buttress, CHOLIC ACID
著者Bera, A.K, Tran, L, Kang, A, Baker, D.
登録日2023-12-19
公開日2024-07-17
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (3.59 Å)
主引用文献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
分子名称: BROMIDE ION, GENERAL CONTROL PROTEIN GCN4
著者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.
登録日2013-08-30
公開日2013-09-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: Scaffolding protein functional sites
著者Bera, A.K, Watson, J, Baker, D.
登録日2022-07-24
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献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
分子名称: HALC1_878
著者Ragotte, R.J, Bera, A.K, Milles, L.F, Wicky, B.I.M, Baker, D.
登録日2022-05-23
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献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
分子名称: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, SULFATE ION, designed cortisol-binding protein hcy129_mpnn5
著者Pellock, S.J, Bera, A.
登録日2023-10-23
公開日2024-11-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献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
分子名称: CEREBLON ISOFORM 4, DIMETHYL SULFOXIDE, S-Thalidomide, ...
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2015-03-10
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
分子名称: CEREBLON ISOFORM 4, PHOSPHATE ION, S-Thalidomide, ...
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2015-03-10
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Dynamics of the Cereblon Ligand Binding Domain.
Plos One, 10, 2015

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