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4MR5
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BU of 4mr5 by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-OH)
分子名称: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ...
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-09-17
公開日2013-11-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
4MRD
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BU of 4mrd by Molmil
Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
分子名称: CD44 antigen, SULFATE ION, beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Liu, L.K, Finzel, B.
登録日2013-09-17
公開日2014-04-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors.
J.Med.Chem., 57, 2014
4LCB
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BU of 4lcb by Molmil
Structure of Vps4 homolog from Acidianus hospitalis
分子名称: CHLORIDE ION, Cell division protein CdvC, Vps4
著者Han, H, Hill, C.P, Whitby, F.G, Monroe, N.
登録日2013-06-21
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The Oligomeric State of the Active Vps4 AAA ATPase.
J.Mol.Biol., 426, 2014
4KW9
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BU of 4kw9 by Molmil
Crystal Structure of Green Fluorescent Protein
分子名称: CHLORIDE ION, Green fluorescent protein, ZINC ION
著者Barnard, T.J, Yu, X, Noinaj, N, Taraska, J.W.
登録日2013-05-23
公開日2014-04-09
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Green Fluorescent Protein
To be Published
4L4S
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BU of 4l4s by Molmil
Structural characterisation of the NADH binary complex of human lactate dehydrogenase M isozyme
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase A chain
著者Dempster, S, Harper, S, Moses, J.E, Dreveny, I.
登録日2013-06-09
公開日2014-04-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural characterization of the apo form and NADH binary complex of human lactate dehydrogenase.
Acta Crystallogr.,Sect.D, 70, 2014
4LC2
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BU of 4lc2 by Molmil
Crystal structure of the bromodomain of human BRPF1B
分子名称: 1,2-ETHANEDIOL, NITRATE ION, Peregrin
著者Tallant, C, Nunez-Alonso, G, Savitsky, P, Picaud, S, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-06-21
公開日2013-07-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the bromodomain of human BRPF1B
TO BE PUBLISHED
4L9S
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BU of 4l9s by Molmil
Crystal Structure of H-Ras G12C, GDP-bound
分子名称: CALCIUM ION, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M.
登録日2013-06-18
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.606 Å)
主引用文献K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
4LCH
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BU of 4lch by Molmil
Crystal structure of the Pseudomonas aeruginosa LPXC/LPC-051 complex
分子名称: (betaS)-Nalpha-{4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]benzoyl}-N,beta-dihydroxy-beta-methyl-L-tyrosinamide, NITRATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
著者Lee, C.-J, Zhou, P.
登録日2013-06-21
公開日2013-08-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.596 Å)
主引用文献Synthesis, Structure, and Antibiotic Activity of Aryl-Substituted LpxC Inhibitors.
J.Med.Chem., 56, 2013
4LKT
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BU of 4lkt by Molmil
Crystal Structure of Human Epidermal Fatty Acid Binding Protein (FABP5) in Complex with Linoleic Acid
分子名称: AMMONIUM ION, CHLORIDE ION, CITRIC ACID, ...
著者Armstrong, E.H, Ortlund, E.A.
登録日2013-07-08
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Structural basis for ligand regulation of the fatty acid-binding protein 5, peroxisome proliferator-activated receptor beta / delta (FABP5-PPAR beta / delta ) signaling pathway.
J.Biol.Chem., 289, 2014
4L0E
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BU of 4l0e by Molmil
Structure of P450sky (CYP163B3), a cytochrome P450 from skyllamycin biosynthesis (heme-coordinated expression tag)
分子名称: P450 monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Cryle, M.J.
登録日2013-05-31
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cytochrome p450sky interacts directly with the nonribosomal Peptide synthetase to generate three amino Acid precursors in skyllamycin biosynthesis.
Acs Chem.Biol., 8, 2013
4KW4
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BU of 4kw4 by Molmil
Crystal Structure of Green Fluorescent Protein
分子名称: Green fluorescent protein
著者Barnard, T.J, Yu, X, Noinaj, N, Taraska, J.W.
登録日2013-05-23
公開日2014-04-09
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (1.746 Å)
主引用文献Crystal Structure of Green Fluorescent Protein
To be Published
4NP2
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BU of 4np2 by Molmil
Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline, CD44 antigen, ...
著者Liu, L.K, Finzel, B.
登録日2013-11-20
公開日2014-04-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Fragment-Based Identification of an Inducible Binding Site on Cell Surface Receptor CD44 for the Design of Protein-Carbohydrate Interaction Inhibitors.
J.Med.Chem., 57, 2014
4NNI
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BU of 4nni by Molmil
Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide
分子名称: 30S ribosomal protein S1, PYRAZINE-2-CARBOXYLIC ACID
著者Yang, J, Liu, Y, Cai, Q, Lin, D.
登録日2013-11-18
公開日2014-12-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide.
Mol.Microbiol., 95, 2015
4MEQ
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BU of 4meq by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 5-methyl-triazolopyrimidine ligand
分子名称: 1,2-ETHANEDIOL, 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-08-27
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
4LAA
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BU of 4laa by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS L36H at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Wheeler, E.L, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B, Robinson, A.C.
登録日2013-06-19
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of Staphylococcal nuclease variant Delta+PHS L36H at cryogenic temperature
To be Published
4N7Y
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BU of 4n7y by Molmil
Crystal structure of 14-3-3zeta in complex with a 8-carbon-linker cyclic peptide derived from ExoS
分子名称: 14-3-3 protein zeta/delta, Exoenzyme S
著者Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C.
登録日2013-10-16
公開日2014-02-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
4N3N
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BU of 4n3n by Molmil
Crystal structure of eukaryotic translation initiation factor eIF5B (517-1116) from Chaetomium thermophilum, apo form
分子名称: Eukaryotic translation initiation factor 5B-like protein, eIF5B(517-C), LACTIC ACID
著者Kuhle, B, Ficner, R.
登録日2013-10-07
公開日2014-07-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.752 Å)
主引用文献eIF5B employs a novel domain release mechanism to catalyze ribosomal subunit joining.
Embo J., 33, 2014
4NCN
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BU of 4ncn by Molmil
Crystal structure of eukaryotic translation initiation factor eIF5B (517-858) from Chaetomium thermophilum in complex with GTP
分子名称: ACETIC ACID, Eukaryotic translation initiation factor 5B-like protein, GLYCEROL, ...
著者Kuhle, B, Ficner, R.
登録日2013-10-24
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献eIF5B employs a novel domain release mechanism to catalyze ribosomal subunit joining.
Embo J., 33, 2014
4NCL
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BU of 4ncl by Molmil
Crystal structure of eukaryotic translation initiation factor eIF5B (517-970) from Chaetomium thermophilum in complex with GDP
分子名称: Eukaryotic translation initiation factor 5B-like protein, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Kuhle, B, Ficner, R.
登録日2013-10-24
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.115 Å)
主引用文献eIF5B employs a novel domain release mechanism to catalyze ribosomal subunit joining.
Embo J., 33, 2014
4NKL
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BU of 4nkl by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V66A/I92Q at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Sorenson, J.L, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
登録日2013-11-12
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Pressure effects in proteins
To be Published
4NIO
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BU of 4nio by Molmil
GVTGIAQ segment 147-153 from Human Superoxide Dismutase with I149T mutation associated with a familial form of amyotrophic lateral sclerosis
分子名称: GVTGIAQ segment from Superoxide dismutase [Cu-Zn]
著者Sievers, S.A, Sawaya, M.R, Eisenberg, D, Ivanova, M.I.
登録日2013-11-06
公開日2013-12-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Aggregation-triggering segments of SOD1 fibril formation support a common pathway for familial and sporadic ALS.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NMZ
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BU of 4nmz by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V23Q/V66A at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Caro, J.A, Sorenson, J.L, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
登録日2013-11-15
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cavities in proteins
To be Published
4NQN
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BU of 4nqn by Molmil
Crystal Structure of the bromodomain of human BRD9 in complex with a triazolo-phthalazine ligand
分子名称: 2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide, Bromodomain-containing protein 9
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-11-25
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal Structure of the bromodomain of human BRD9 in complex with a triazolo-phthalazine ligand
To be Published
4MEO
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BU of 4meo by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-methyl-quinoline ligand
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-08-27
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
4MEP
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BU of 4mep by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3-chloro-pyridone ligand
分子名称: 3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-08-27
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013

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