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5JXY
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Enzyme-substrate complex of TDG catalytic domain bound to a G/U analog
分子名称: DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase
著者Pidugu, L.S, Pozharski, E, Malik, S.S, Drohat, A.C.
登録日2016-05-13
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural basis of damage recognition by thymine DNA glycosylase: Key roles for N-terminal residues.
Nucleic Acids Res., 44, 2016
1GML
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BU of 1gml by Molmil
crystal structure of the mouse CCT gamma apical domain (triclinic)
分子名称: GLYCEROL, T-COMPLEX PROTEIN 1 SUBUNIT GAMMA
著者Pappenberger, G, Wilsher, J.A, Roe, S.M, Willison, K.R, Pearl, L.H.
登録日2001-09-17
公開日2002-06-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the Cct Gamma Apical Domain:: Implications for Substrate Binding to the Eukaryotic Cytosolic Chaperonin
J.Mol.Biol., 318, 2002
1GN1
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crystal structure of the mouse CCT gamma apical domain (monoclinic)
分子名称: CALCIUM ION, CCT-GAMMA
著者Pappenberger, G, Wilsher, J.A, Roe, S.M, Willison, K.R, Pearl, L.H.
登録日2001-10-01
公開日2002-06-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of the Cct Gamma Apical Domain:: Implications for Substrate Binding to the Eukaryotic Cytosolic Chaperonin
J.Mol.Biol., 318, 2002
1GK4
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BU of 1gk4 by Molmil
HUMAN VIMENTIN COIL 2B FRAGMENT (CYS2)
分子名称: ACETATE ION, VIMENTIN
著者Strelkov, S.V, Herrmann, H, Geisler, N, Zimbelmann, R, Aebi, U, Burkhard, P.
登録日2001-08-08
公開日2002-03-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conserved Segments 1A and 2B of the Intermediate Filament Dimer: Their Atomic Structures and Role in Filament Assembly.
Embo J., 21, 2002
5IW0
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BU of 5iw0 by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N19 [2-(5-((4-chloro-2-methylbenzyl)oxy)-1H-pyrazol-1-yl)isonicotinic acid]
分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 2-{5-[(4-chloro-2-methylphenyl)methoxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid, ...
著者Horton, J.R, Cheng, X.
登録日2016-03-21
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IFW
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BU of 5ifw by Molmil
Quantitative interaction mapping reveals an extended ubiquitin regulatory domain in ASPL that disrupts functional p97 hexamers and induces cell death
分子名称: ADENOSINE-5'-DIPHOSPHATE, Tether containing UBX domain for GLUT4, Transitional endoplasmic reticulum ATPase
著者Roske, Y, Heinemann, U.
登録日2016-02-26
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Quantitative interaction mapping reveals an extended UBX domain in ASPL that disrupts functional p97 hexamers.
Nat Commun, 7, 2016
5II2
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BU of 5ii2 by Molmil
Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, CITRIC ACID, POTASSIUM ION, ...
著者Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S.
登録日2016-03-01
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
1HF8
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CALM-N N-terminal domain of clathrin assembly lymphoid myeloid leukaemia protein
分子名称: CLATHRIN ASSEMBLY PROTEIN SHORT FORM
著者Ford, M.G.J, Evans, P.R, McMahon, H.T.
登録日2000-11-30
公開日2001-02-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Simultaneous Binding of Ptdins(4,5)P2 and Clathrin by Ap180 in the Nucleation of Clathrin Lattices on Membranes
Science, 291, 2001
5KHM
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The first BET bromodomain of BRD4 bound to compound 13 in a bivalent manner
分子名称: (3~{R})-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one, Bromodomain-containing protein 4, GLYCEROL
著者Patel, J.
登録日2016-06-15
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Optimization of a Series of Bivalent Triazolopyridazine Based Bromodomain and Extraterminal Inhibitors: The Discovery of (3R)-4-[2-[4-[1-(3-Methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-1,3-dimethyl-piperazin-2-one (AZD5153).
J.Med.Chem., 59, 2016
5KHR
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BU of 5khr by Molmil
Model of human Anaphase-promoting complex/Cyclosome complex (APC15 deletion mutant) in complex with the E2 UBE2C/UBCH10 poised for ubiquitin ligation to substrate (APC/C-CDC20-substrate-UBE2C)
分子名称: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
著者VanderLinden, R, Yamaguchi, M, Dube, P, Haselbach, D, Stark, H, Schulman, B.A.
登録日2016-06-15
公開日2016-08-24
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Cryo-EM of Mitotic Checkpoint Complex-Bound APC/C Reveals Reciprocal and Conformational Regulation of Ubiquitin Ligation.
Mol.Cell, 63, 2016
5IVY
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BU of 5ivy by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N16 [3-(2-(4-chlorophenyl)acetamido)isonicotinic acid]
分子名称: 3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid, Lysine-specific demethylase 5A, MANGANESE (II) ION
著者Horton, J.R, Cheng, X.
登録日2016-03-21
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5K5F
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BU of 5k5f by Molmil
NMR structure of the HLTF HIRAN domain
分子名称: Helicase-like transcription factor
著者Bezsonova, I, Neculai, D, Korzhnev, D, Weigelt, J, Bountra, C, Edwards, A, Arrowsmith, C, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2016-05-23
公開日2016-06-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure of the HLTF HIRAN domain
To Be Published
5KPP
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BU of 5kpp by Molmil
Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
分子名称: 1-[[4-fluoranyl-3-[(3R)-3-methyl-4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1
著者Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L.
登録日2016-07-05
公開日2016-11-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
5KV7
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BU of 5kv7 by Molmil
Human cyclophilin A at 278K, Data set 9
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-13
公開日2016-08-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KKC
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BU of 5kkc by Molmil
l-lactate dehydrogenase from rabbit muscle with the inhibitor 6DHNAD
分子名称: L-lactate dehydrogenase A chain, SULFATE ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(5-aminocarbonyl-2~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Meneely, K.M, Moran, G.R, Lamb, A.L.
登録日2016-06-21
公開日2016-11-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献Ligand binding phenomena that pertain to the metabolic function of renalase.
Arch.Biochem.Biophys., 612, 2016
1HW3
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BU of 1hw3 by Molmil
STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE SUGGESTS ADVANTAGES OF CHEMOTHERAPY WITH NONCOMPETITIVE INHIBITORS
分子名称: 1,2-ETHANEDIOL, SULFATE ION, THYMIDYLATE SYNTHASE
著者Phan, J, Steadman, J.D, Koli, S, Ding, W.C, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L.
登録日2001-01-09
公開日2001-01-24
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of human thymidylate synthase suggests advantages of chemotherapy with noncompetitive inhibitors.
J.Biol.Chem., 276, 2001
5II1
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Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 1-methylisochromeno[3,4-c]pyrazol-5(3H)-one
分子名称: 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1
著者Filippakopoulos, P, Picaud, S, Felletar, I, Myrianthopoulos, V, Mikros, E, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-03-01
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
1HVY
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BU of 1hvy by Molmil
Human thymidylate synthase complexed with dUMP and Raltitrexed, an antifolate drug, is in the closed conformation
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, BETA-MERCAPTOETHANOL, THYMIDYLATE SYNTHASE, ...
著者Phan, J, Koli, S, Minor, W, Dunlap, R.B, Berger, S.H, Lebioda, L.
登録日2001-01-08
公開日2001-01-31
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human thymidylate synthase is in the closed conformation when complexed with dUMP and raltitrexed, an antifolate drug
Biochemistry, 40, 2001
5ISL
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BU of 5isl by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor C49 (2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid)
分子名称: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2016-03-15
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.694 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
1HM6
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BU of 1hm6 by Molmil
X-RAY STRUCTURE OF FULL-LENGTH ANNEXIN 1
分子名称: ANNEXIN 1, SULFATE ION
著者Rosengarth, A, Gerke, V, Luecke, H.
登録日2000-12-04
公開日2001-02-28
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray structure of full-length annexin 1 and implications for membrane aggregation.
J.Mol.Biol., 306, 2001
5K0Y
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BU of 5k0y by Molmil
m48S late-stage initiation complex, purified from rabbit reticulocytes lysates, displaying eIF2 ternary complex and eIF3 i and g subunits relocated to the intersubunit face
分子名称: 18S ribosomal RNA, 40S ribosomal protein S12, 40S ribosomal protein S21, ...
著者Simonetti, A, Brito Querido, J, Myasnikov, A.G, Mancera-Martinez, E, Renaud, A, Kuhn, L, Hashem, Y.
登録日2016-05-17
公開日2016-07-13
最終更新日2018-04-18
実験手法ELECTRON MICROSCOPY (5.8 Å)
主引用文献eIF3 Peripheral Subunits Rearrangement after mRNA Binding and Start-Codon Recognition.
Mol.Cell, 63, 2016
1GG5
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CRYSTAL STRUCTURE OF A COMPLEX OF HUMAN NAD[P]H-QUINONE OXIDOREDUCTASE AND A CHEMOTHERAPEUTIC DRUG (E09) AT 2.5 A RESOLUTION
分子名称: 3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL-2-[1H-INDOLE-4,7-DIONE]-PROPANOL, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1
著者Faig, M, Bianchet, M.A, Winski, S, Hargreaves, R, Moody, C.J, Hudnott, A.R, Ross, D, Amzel, L.M.
登録日2000-07-12
公開日2001-09-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based development of anticancer drugs: complexes of NAD(P)H:quinone oxidoreductase 1 with chemotherapeutic quinones.
Structure, 9, 2001
5KUU
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BU of 5kuu by Molmil
Human cyclophilin A at 100K, Data set 7
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-13
公開日2016-08-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KV2
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BU of 5kv2 by Molmil
Human cyclophilin A at 278K, Data set 4
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-13
公開日2016-08-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5KU3
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BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
分子名称: 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, Bromodomain-containing protein 4, ...
著者Murray, J.M, Huang, W.
登録日2016-07-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016

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