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5YB7
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BU of 5yb7 by Molmil
L-Amino acid oxidase/monooxygenase from Pseudomonas sp. AIU 813 - L-ornithine complex
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid oxidase/monooxygenase, L-ornithine
著者Im, D, Matsui, D, Arakawa, T, Isobe, K, Asano, Y, Fushinobu, S.
登録日2017-09-03
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ligand complex structures of l-amino acid oxidase/monooxygenase from
FEBS Open Bio, 8, 2018
1V2K
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BU of 1v2k by Molmil
Factor XA specific Inhibitor in complex with bovine trypsin variant X(triple.Glu)bT.D2
分子名称: CALCIUM ION, SULFATE ION, Trypsin, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2Q
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BU of 1v2q by Molmil
Trypsin inhibitor in complex with bovine trypsin variant X(SSWI)bT.B4
分子名称: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
4X5Z
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BU of 4x5z by Molmil
menin in complex with MI-136
分子名称: 1,2-ETHANEDIOL, 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ...
著者Pollock, J, Borkin, D, Cierpicki, T, Grembecka, J.
登録日2014-12-06
公開日2015-04-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Pharmacologic Inhibition of the Menin-MLL Interaction Blocks Progression of MLL Leukemia In Vivo.
Cancer Cell, 27, 2015
6FCN
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BU of 6fcn by Molmil
Crystal structure of human PCNA soaked with p47phox(106-127) peptide
分子名称: Proliferating cell nuclear antigen
著者Housset, D, Frachet, P.
登録日2017-12-20
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Cytosolic PCNA interacts with p47phox and controls NADPH oxidase NOX2 activation in neutrophils.
J.Exp.Med., 216, 2019
7PQO
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BU of 7pqo by Molmil
Catalytic fragment of MASP-1 in complex with P1 site mutant ecotin
分子名称: Ecotin, GLYCEROL, Mannan-binding lectin serine protease 1, ...
著者Harmat, V, Fodor, K, Heja, D.
登録日2021-09-17
公開日2022-05-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.39 Å)
主引用文献Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation.
J.Biol.Chem., 298, 2022
7PQN
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BU of 7pqn by Molmil
Catalytic fragment of MASP-2 in complex with ecotin
分子名称: Ecotin, GLYCEROL, Mannan-binding lectin serine protease 2 A chain, ...
著者Harmat, V, Fodor, K, Heja, D.
登録日2021-09-17
公開日2022-05-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.400015 Å)
主引用文献Synergy of protease-binding sites within the ecotin homodimer is crucial for inhibition of MASP enzymes and for blocking lectin pathway activation.
J.Biol.Chem., 298, 2022
6WRX
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BU of 6wrx by Molmil
Crystal structure of computationally designed protein 2DS25.1 in complex with the human Transferrin receptor ectodomain
分子名称: 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, ...
著者Abraham, J, Coscia, A, Olal, D, Sahtoe, D.D, Baker, D, Clark, L.
登録日2020-04-30
公開日2021-04-28
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Transferrin receptor targeting by de novo sheet extension.
Proc.Natl.Acad.Sci.USA, 118, 2021
1V2S
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BU of 1v2s by Molmil
Benzamidine in complex with bovine trypsin variant X(SSFI.Glu)bT.D1
分子名称: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
6WRV
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BU of 6wrv by Molmil
Crystal structure of computationally designed protein 3DS18 in complex with the human Transferrin receptor ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Computationally designed protein 3DS18, ...
著者Abraham, J, Baker, D, Sahtoe, D.D, Coscia, A, Clark, L, Olal, D.
登録日2020-04-30
公開日2021-04-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Transferrin receptor targeting by de novo sheet extension.
Proc.Natl.Acad.Sci.USA, 118, 2021
6WRW
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BU of 6wrw by Molmil
Crystal structure of computationally designed protein 2DS25.5 in complex with the human Transferrin receptor ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Computationally designed protein 2DS25.5, ...
著者Abraham, J, Coscia, A, Olal, D, Sahtoe, D.D, Baker, D, Clark, L.
登録日2020-04-30
公開日2021-04-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Transferrin receptor targeting by de novo sheet extension.
Proc.Natl.Acad.Sci.USA, 118, 2021
4XCG
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BU of 4xcg by Molmil
Crystal structure of a hexadecameric TF55 complex from S. solfataricus, crystal form I
分子名称: ADENOSINE-5'-DIPHOSPHATE, Thermosome subunit alpha, Thermosome subunit beta
著者Stewart, A.G, Smits, C, Chaston, J.J, Stock, D.
登録日2014-12-18
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.737 Å)
主引用文献Structural and Functional Insights into the Evolution and Stress Adaptation of Type II Chaperonins.
Structure, 24, 2016
1V2J
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BU of 1v2j by Molmil
BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(SSRI)bT.C1
分子名称: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1V2O
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BU of 1v2o by Molmil
Trypsin inhibitor in complex with bovine trypsin variant X(SSYI)bT.B4
分子名称: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
1N4H
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BU of 1n4h by Molmil
Characterization of ligands for the orphan nuclear receptor RORbeta
分子名称: Nuclear Receptor ROR-beta, RETINOIC ACID, Steroid Receptor Coactivator-1
著者Stehlin-Gaon, C, Willmann, D, Sanglier, S, Van Dorsselaer, A, Renaud, J.-P, Moras, D, Schuele, R.
登録日2002-10-31
公開日2003-09-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献All-trans retinoic acid is a ligand for the orphan nuclear receptor RORbeta
Nat.Struct.Biol., 10, 2003
4XCD
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BU of 4xcd by Molmil
Crystal structure of an octadecameric TF55 complex from S. solfataricus
分子名称: ADENOSINE-5'-DIPHOSPHATE, Thermosome subunit beta
著者Chaston, J.J, Stewart, A.G, Smits, C, Stock, D.
登録日2014-12-17
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.79 Å)
主引用文献Structural and Functional Insights into the Evolution and Stress Adaptation of Type II Chaperonins.
Structure, 24, 2016
1V2M
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BU of 1v2m by Molmil
Benzamidine in complex with bovine trypsin variant X(triple.Glu)bT.A1
分子名称: BENZAMIDINE, SULFATE ION, Trypsin
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
9GAO
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BU of 9gao by Molmil
Crystal structure of CRBNmidi in complex with 2-(4-(2,6-dioxopiperidin-3-yl)phenoxy)-N-methylacetamide
分子名称: 2-[4-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]phenoxy]-~{N}-methyl-ethanamide, Protein cereblon, ZINC ION
著者Rutter, Z.J, Kroupova, A, Zollman, D, Ciulli, A.
登録日2024-07-29
公開日2024-10-02
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design of a Cereblon construct for crystallographic and biophysical studies of protein degraders.
Nat Commun, 15, 2024
1V2U
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BU of 1v2u by Molmil
Benzamidine in complex with bovine trypsin varinat X(SSAI)bT.D1
分子名称: BENZAMIDINE, CALCIUM ION, SULFATE ION, ...
著者Rauh, D, Klebe, G, Stubbs, M.T.
登録日2003-10-17
公開日2004-06-01
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Understanding protein-ligand interactions: the price of protein flexibility
J.Mol.Biol., 335, 2004
9FZA
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BU of 9fza by Molmil
TEAD1/YAP in complex with a reversible inhibitor N-[(4-phenoxyphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
分子名称: CHLORIDE ION, Transcriptional coactivator YAP1, Transcriptional enhancer factor TEF-1, ...
著者Musil, D, Freire, F.
登録日2024-07-04
公開日2024-10-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.214 Å)
主引用文献Discovery of reversible and covalent TEAD 1 selective inhibitors MSC-1254 and MSC-5046 based on one scaffold.
Bioorg.Med.Chem.Lett., 114, 2024
5YB6
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BU of 5yb6 by Molmil
L-Amino acid oxidase/monooxygenase from Pseudomonas sp. AIU 813 - L-lysine complex
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid oxidase/monooxygenase, ...
著者Im, D, Matsui, D, Arakawa, T, Isobe, K, Asano, Y, Fushinobu, S.
登録日2017-09-03
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ligand complex structures of l-amino acid oxidase/monooxygenase from
FEBS Open Bio, 8, 2018
8VLB
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BU of 8vlb by Molmil
Crystal structure of EloBC-VHL-CDO1 complex bound to compound 4 molecular glue
分子名称: CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ...
著者Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G.
登録日2024-01-11
公開日2024-03-13
最終更新日2025-07-09
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A small-molecule VHL molecular glue degrader for cysteine dioxygenase 1.
Nat.Chem.Biol., 2025
8VL9
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BU of 8vl9 by Molmil
Crystal structure of EloBC-VHL-CDO1 complex bound to compound 8 molecular glue
分子名称: CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ...
著者Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G.
登録日2024-01-11
公開日2024-03-13
最終更新日2025-07-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A small-molecule VHL molecular glue degrader for cysteine dioxygenase 1.
Nat.Chem.Biol., 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
5YB8
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BU of 5yb8 by Molmil
L-Amino acid oxidase/monooxygenase from Pseudomonas sp. AIU 813 - L-arginine complex
分子名称: ARGININE, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid oxidase/monooxygenase
著者Im, D, Matsui, D, Arakawa, T, Isobe, K, Asano, Y, Fushinobu, S.
登録日2017-09-03
公開日2018-02-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ligand complex structures of l-amino acid oxidase/monooxygenase from
FEBS Open Bio, 8, 2018

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件を2025-07-09に公開中

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