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4WAE
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Phosphatidylinositol 4-kinase III beta crystallized with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta
著者Chalupska, D, Boura, E.
登録日2014-08-29
公開日2015-05-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.318 Å)
主引用文献Highly Selective Phosphatidylinositol 4-Kinase III beta Inhibitors and Structural Insight into Their Mode of Action.
J.Med.Chem., 58, 2015
4WBA
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BU of 4wba by Molmil
Q/E mutant SA11 NSP4_CCD
分子名称: GLYCEROL, Non-structural glycoprotein NSP4, PHOSPHATE ION
著者Viskovska, M, Sastri, N.P, Hyser, J.M, Tanner, M.R, Horton, L.B, Sankaran, B, Prasad, B.V.V, Estes, M.K.
登録日2014-09-02
公開日2014-09-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Structural Plasticity of the Coiled-Coil Domain of Rotavirus NSP4.
J.Virol., 88, 2014
7RAG
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BU of 7rag by Molmil
Structure of the CwlD amidase from Clostridioides difficile in complex with the GerS lipoprotein
分子名称: 1,2-ETHANEDIOL, Germination-specific N-acetylmuramoyl-L-alanine amidase, Autolysin, ...
著者Eckenroth, B.E, Doublie, S.
登録日2021-07-01
公開日2021-09-08
最終更新日2021-10-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A lipoprotein allosterically activates the CwlD amidase during Clostridioides difficile spore formation.
Plos Genet., 17, 2021
2G19
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BU of 2g19 by Molmil
Cellular Oxygen Sensing: Crystal Structure of Hypoxia-Inducible Factor Prolyl Hydroxylase (PHD2)
分子名称: Egl nine homolog 1, FE (II) ION, N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE
著者Syed, R.S, Li, V.
登録日2006-02-14
公開日2006-06-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cellular oxygen sensing: Crystal structure of hypoxia-inducible factor prolyl hydroxylase (PHD2).
Proc.Natl.Acad.Sci.Usa, 103, 2006
4WCV
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BU of 4wcv by Molmil
Haloalkane dehalogenase DhaA mutant from Rhodococcus rhodochrous (T148L+G171Q+A172V+C176G)
分子名称: ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ...
著者Holubeva, T, Prudnikova, T, Kuta-Smatanova, I, Rezacova, P.
登録日2014-09-05
公開日2014-10-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Balancing the stability-activity trade-off by fine-tuning dehalogenase access tunnels
Chemcatchem, 2015
4WD1
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BU of 4wd1 by Molmil
Acetoacetyl-CoA Synthetase from Streptomyces lividans
分子名称: 1,2-ETHANEDIOL, Acetoacetate-CoA ligase, CALCIUM ION
著者Gulick, A.M, Mitchell, C.A.
登録日2014-09-05
公開日2015-01-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献The structure of S. lividans acetoacetyl-CoA synthetase shows a novel interaction between the C-terminal extension and the N-terminal domain.
Proteins, 83, 2015
2G1M
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BU of 2g1m by Molmil
Cellular Oxygen Sensing: Crystal Structure of Hypoxia-Inducible Factor Prolyl Hydroxylase (PHD2)
分子名称: Egl nine homolog 1, FE (II) ION, N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE
著者Mcdonough, M.A, Schofield, C.J.
登録日2006-02-14
公開日2006-06-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cellular oxygen sensing: Crystal structure of hypoxia-inducible factor prolyl hydroxylase (PHD2).
Proc.Natl.Acad.Sci.Usa, 103, 2006
4W8Y
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BU of 4w8y by Molmil
Structure of full length Cmr2 from Pyrococcus furiosus (Manganese bound form)
分子名称: CRISPR system Cmr subunit Cmr2, MANGANESE (II) ION, ZINC ION
著者Benda, C, Ebert, J, Baumgaertner, M, Conti, E.
登録日2014-08-26
公開日2014-10-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Model of a CRISPR RNA-Silencing Complex Reveals the RNA-Target Cleavage Activity in Cmr4.
Mol.Cell, 56, 2014
4WA0
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BU of 4wa0 by Molmil
The structure of a possible adhesin C-terminal domain from Caldicellulosiruptor kronotskyensis
分子名称: MAGNESIUM ION, possible adhesin
著者Alahuhta, P.M, Lunin, V.V.
登録日2014-08-28
公開日2015-03-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discrete and Structurally Unique Proteins (Tapirins) Mediate Attachment of Extremely Thermophilic Caldicellulosiruptor Species to Cellulose.
J.Biol.Chem., 290, 2015
4F9V
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BU of 4f9v by Molmil
Structure of C113A/C136A mutant variant of glycosylated glutaminyl cyclase from Drosophila melanogaster
分子名称: 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea, CG32412, DI(HYDROXYETHYL)ETHER, ...
著者Kolenko, P, Koch, B, Ruiz-Carilo, D, Stubbs, M.T.
登録日2012-05-21
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Glutaminyl Cyclases (QCs) from Drosophila melanogaster Reveal Active Site Conservation between Insect and Mammalian QCs.
Biochemistry, 51, 2012
4WA9
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BU of 4wa9 by Molmil
The crystal structure of human abl1 wild type kinase domain in complex with axitinib
分子名称: AXITINIB, Tyrosine-protein kinase ABL1
著者Johnson, E, McTigue, M, Cronin, C.N.
登録日2014-08-28
公開日2015-02-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Axitinib effectively inhibits BCR-ABL1(T315I) with a distinct binding conformation.
Nature, 519, 2015
7LDF
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BU of 7ldf by Molmil
High resolution NMR solution structure of a de novo designed minimal thioredoxin fold protein
分子名称: Minimal thioredoxin fold protein, ems_thioM_802
著者Urbauer, J.L, Strauch, E.M.
登録日2021-01-13
公開日2022-07-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Sampling of structure and sequence space of small protein folds.
Nat Commun, 13, 2022
4WAU
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BU of 4wau by Molmil
Crystal structure of CENP-M solved by native-SAD phasing
分子名称: Centromere protein M
著者Weinert, T, Basilico, F, Cecatiello, V, Pasqualato, S, Wang, M.
登録日2014-09-01
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
7LRW
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BU of 7lrw by Molmil
Structure of Hact-2
分子名称: Hact-2
著者Schmidt, C.A, Daly, N.L.
登録日2021-02-17
公開日2022-08-03
実験手法SOLUTION NMR
主引用文献Diversity of coral derived peptides
To Be Published
7YCK
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BU of 7yck by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with FP-12A Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, FP-12A Fab heavy chain, FP-12A Fab light chain, ...
著者Nguyen, V.H.T, Chen, X.
登録日2022-07-01
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
7LT7
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BU of 7lt7 by Molmil
Structure of Hact-3
分子名称: Hact-3
著者Schmidt, C.A, Daly, N.L.
登録日2021-02-19
公開日2022-08-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Diversity of coral derived peptides
To Be Published
7YCL
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BU of 7ycl by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with IS-9A Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IS-9A Fab heavy chain, IS-9A Fab light chain, ...
著者Mohapatra, A, Chen, X.
登録日2022-07-01
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
7LX4
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BU of 7lx4 by Molmil
Structure of Hact-SCRiP1
分子名称: Hact-SCRiP1
著者Schmidt, C.A, Daly, N.L.
登録日2021-03-03
公開日2022-08-03
実験手法SOLUTION NMR
主引用文献Diversity of coral derived peptides
To Be Published
7LMX
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BU of 7lmx by Molmil
A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE
分子名称: Integrin inhibitor
著者Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
登録日2021-02-06
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
7RMR
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BU of 7rmr by Molmil
Crystal structure of [I11L]cycloviolacin O2
分子名称: D-[I11L]cycloviolacin O2, THIOCYANATE ION, [I11L]cycloviolacin O2
著者Huang, Y.H, Du, Q, Craik, D.J.
登録日2021-07-28
公開日2021-09-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Enabling Efficient Folding and High-Resolution Crystallographic Analysis of Bracelet Cyclotides.
Molecules, 26, 2021
4WD7
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BU of 4wd7 by Molmil
Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae by Zn-SAD phasing
分子名称: Bestrophin domain protein, ZINC ION
著者Yang, T, Liu, Q, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2014-09-08
公開日2014-10-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and selectivity in bestrophin ion channels.
Science, 346, 2014
7RS8
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BU of 7rs8 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-16
分子名称: (1R,2S,4R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor
著者Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
登録日2021-08-11
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LMV
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BU of 7lmv by Molmil
SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6
分子名称: Integrin inhibitor
著者Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
登録日2021-02-05
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
4WB4
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BU of 4wb4 by Molmil
wt SA11 NSP4_CCD
分子名称: CALCIUM ION, Non-structural glycoprotein NSP4
著者Viskovska, M, Sastri, N.P, Hyser, J.M, Tanner, M.R, Horton, L.B, Sankaran, B, Prasad, B.V.V, Estes, M.K.
登録日2014-09-02
公開日2014-09-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural Plasticity of the Coiled-Coil Domain of Rotavirus NSP4.
J.Virol., 88, 2014
7RRX
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BU of 7rrx by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-19
分子名称: (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, CHLORIDE ION, Estrogen receptor
著者Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
登録日2021-08-10
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021

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