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4WX7
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Crystal structure of adenovirus 8 protease with a nitrile inhibitor
分子名称: 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide, PVI, Protease
著者Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E.
登録日2014-11-13
公開日2015-01-14
最終更新日2015-01-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
6U1I
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BU of 6u1i by Molmil
Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphorylated D-cycloserine, Mg2+ and K+
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase, MAGNESIUM ION, ...
著者Pederick, J.L, Bruning, J.B, Thompson, A.P.
登録日2019-08-15
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
J.Biol.Chem., 295, 2020
5G4X
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BU of 5g4x by Molmil
The crystal structure of the SHANK3 N-terminus
分子名称: 1,2-ETHANEDIOL, SH3 AND MULTIPLE ANKYRIN REPEAT DOMAINS PROTEIN 3
著者Zacharchenko, T, Barsukov, I.
登録日2016-05-17
公開日2017-01-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.166 Å)
主引用文献SHANK proteins limit integrin activation by directly interacting with Rap1 and R-Ras.
Nat. Cell Biol., 19, 2017
5G2Q
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BU of 5g2q by Molmil
The crystal structure of a S-selective transaminase from Arthrobacter sp. with alanine bound
分子名称: 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID, TRANSAMINASE
著者van Oosterwijk, N, Willies, S, Hekelaar, J, Terwisscha van Scheltinga, A.C, Turner, N.J, Dijkstra, B.W.
登録日2016-04-12
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of Substrate Range and Enantioselectivity of Two S-Selective Omega- Transaminases
Biochemistry, 55, 2016
4WXZ
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BU of 4wxz by Molmil
PdxS (G. stearothermophilus) co-crystallized with R5P
分子名称: Pyridoxal biosynthesis lyase PdxS
著者Smith, J.L, Smith, A.M.
登録日2014-11-14
公開日2015-01-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures capture three states in the catalytic cycle of a pyridoxal phosphate (PLP) synthase.
J.Biol.Chem., 290, 2015
6U7V
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BU of 6u7v by Molmil
xRRM structure of spPof8
分子名称: NITRATE ION, Protein pof8
著者Kim, J.-K, Hu, X, Yu, C, Jun, H.-I, Liu, J, Sankaran, B, Huang, L, Qiao, F.
登録日2019-09-03
公開日2020-09-09
最終更新日2021-03-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Quality-Control Mechanism for Telomerase RNA Folding in the Cell.
Cell Rep, 33, 2020
5G39
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BU of 5g39 by Molmil
PsbO subunit of Photosystem II, beta barrel domain at 297K, pH 6
分子名称: CALCIUM ION, PHOTOSYSTEM II MANGANESE-STABILIZING POLYPEPTIDE
著者Bommer, M, Bondar, A.N, Zouni, A, Dobbek, H, Dau, H.
登録日2016-04-24
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystallographic and Computational Analysis of the Barrel Part of the Psbo Protein of Photosystem II -Carboxylate-Water Clusters as Putative Proton Transfer Relays and Structural Switches
Biochemistry, 55, 2016
4X7L
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BU of 4x7l by Molmil
Co-crystal Structure of PERK bound to 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor
分子名称: 4-{2-amino-4-methyl-3-[2-(methylamino)-1,3-benzothiazol-6-yl]benzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one, Eukaryotic translation initiation factor 2-alpha kinase 3,Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, ...
著者Shaffer, P.L, Long, A.M, Chen, H.
登録日2014-12-09
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of 1H-Pyrazol-3(2H)-ones as Potent and Selective Inhibitors of Protein Kinase R-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 58, 2015
5G3A
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BU of 5g3a by Molmil
PsbO subunit of Photosystem II, beta barrel domain at 100K, pH 10
分子名称: CALCIUM ION, PHOTOSYSTEM II MANGANESE-STABILIZING POLYPEPTIDE
著者Bommer, M, Bondar, A.N, Zouni, A, Dobbek, H, Dau, H.
登録日2016-04-25
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.224 Å)
主引用文献Crystallographic and Computational Analysis of the Barrel Part of the Psbo Protein of Photosystem II -Carboxylate-Water Clusters as Putative Proton Transfer Relays and Structural Switches
Biochemistry, 55, 2016
4X2H
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BU of 4x2h by Molmil
Sac3N peptide bound to Mex67:Mtr2
分子名称: Putative mRNA export protein, Putative uncharacterized protein, SER-SER-VAL-PHE-GLY-ALA-PRO-ALA
著者Aibara, S, Valkov, E, Stewart, M.
登録日2014-11-26
公開日2015-06-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Characterization of the Chaetomium thermophilum TREX-2 Complex and its Interaction with the mRNA Nuclear Export Factor Mex67:Mtr2.
Structure, 23, 2015
4X96
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BU of 4x96 by Molmil
Low resolution crystal structure of Lecithin:Cholesterol Acyltransferase (LCAT; residues 21-397)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Phosphatidylcholine-sterol acyltransferase, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Glukhova, A, Tesmer, J.J.G.
登録日2014-12-11
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (8.69 Å)
主引用文献Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase.
Nat Commun, 6, 2015
6K5I
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BU of 6k5i by Molmil
Crystal structure of the E148D/R147A/F317A mutant CLC-ec1 in the presence of 20 mM NaBr
分子名称: BROMIDE ION, Fab fragment, heavy chain, ...
著者Park, K, Lim, H.H.
登録日2019-05-29
公開日2019-08-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.022 Å)
主引用文献Mutation of external glutamate residue reveals a new intermediate transport state and anion binding site in a CLC Cl-/H+antiporter.
Proc.Natl.Acad.Sci.USA, 116, 2019
5G20
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BU of 5g20 by Molmil
Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 19).
分子名称: 6-(BENZYLOXY)-4-(ETHYLSULFANYL)-3-[(MORPHOLIN-4-YL), DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ...
著者Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W.
登録日2016-04-06
公開日2017-02-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
7CWK
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BU of 7cwk by Molmil
Structure of a triple-helix region of human collagen type I
分子名称: Collagen type I
著者Zhu, Y, Yang, X, Sun, F.
登録日2020-08-29
公開日2021-09-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.539 Å)
主引用文献Conformation in a triple-helix region of human collagen type I
To Be Published
6UDG
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Crystal structure of a Probable thiol peroxidase from Elizabethkingia anophelis NUHP1
分子名称: Thiol peroxidase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-09-19
公開日2019-10-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of a Probable thiol peroxidase from Elizabethkingia anophelis NUHP1
TO BE PUBLISHED
4X4W
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BU of 4x4w by Molmil
Crystal structure of the full-length human mitochondrial CCA-adding enzyme
分子名称: CCA tRNA nucleotidyltransferase 1, mitochondrial, CHLORIDE ION, ...
著者Kuhn, C.-D, Joshua-Tor, L.
登録日2014-12-03
公開日2015-02-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献On-Enzyme Refolding Permits Small RNA and tRNA Surveillance by the CCA-Adding Enzyme.
Cell, 160, 2015
4X5W
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BU of 4x5w by Molmil
HLA-DR1 with CLIP102-120(M107W)
分子名称: HLA class II histocompatibility antigen gamma chain, HLA class II histocompatibility antigen, DR alpha chain, ...
著者Guenther, S, Freund, C.
登録日2014-12-06
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献MHC class II complexes sample intermediate states along the peptide exchange pathway.
Nat Commun, 7, 2016
5HAX
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BU of 5hax by Molmil
Crystal structure of Chaetomium thermophilum Nup170 NTD-Nup53 complex
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Nucleoporin NUP170, ...
著者Lin, D.H, Mobbs, G, Hoelz, A.
登録日2015-12-31
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Architecture of the symmetric core of the nuclear pore.
Science, 352, 2016
5A5F
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BU of 5a5f by Molmil
CRYSTAL STRUCTURE OF MURD LIGASE FROM ESCHERICHIA COLI IN COMPLEX WITH UMA AND ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MALONATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE, ...
著者Sink, R, Kotnik, M, Zega, A, Barreteau, H, Gobec, S, Blanot, D, Dessen, A, Contreras-Martel, C.
登録日2015-06-17
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic Study of Peptidoglycan Biosynthesis Enzyme MurD: Domain Movement Revisited.
PLoS ONE, 11, 2016
5IN2
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BU of 5in2 by Molmil
Crystal structure of extra cellular Cu/Zn Superoxide Dismutase from Onchocerca volvulus at 1.5 Angstrom; Insight into novel binding site and new inhibitors
分子名称: AZIDE ION, CHLORIDE ION, COPPER (II) ION, ...
著者Moustafa, A, Betzel, C, Perbandt, M.
登録日2016-03-07
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of extracellular Cu/Zn Superoxide Dismutase from Onchocerca volvulus at 1.5 Angstrom; Insight into novel binding site and new inhibitors
To Be Published
5I1G
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BU of 5i1g by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-53/IGKV3-11
分子名称: FAB HEAVY CHAIN, FAB LIGHT CHAIN, SULFATE ION
著者Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
登録日2016-02-05
公開日2016-06-08
最終更新日2016-08-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural diversity in a human antibody germline library.
Mabs, 8, 2016
5I2K
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BU of 5i2k by Molmil
Structure of the human GluN1/GluN2A LBD in complex with 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (compound 19)
分子名称: 7-{[ethyl(4-fluorophenyl)amino]methyl}-N,2-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide, GLUTAMIC ACID, GLYCINE, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2016-02-09
公開日2016-03-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J.Med.Chem., 59, 2016
5I0K
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Insights into Substrate Modification by Dehydratases from Type I Polyketide Synthases
分子名称: CROTONYL COENZYME A, Phthiocerol synthesis polyketide synthase type I PpsC
著者Faille, A, Mourey, L, Pedelacq, J.D.
登録日2016-02-04
公開日2017-08-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.197 Å)
主引用文献Insights into Substrate Modification by Dehydratases from Type I Polyketide Synthases.
J. Mol. Biol., 429, 2017
5AIE
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Not4 ring domain in complex with Ubc4
分子名称: GENERAL NEGATIVE REGULATOR OF TRANSCRIPTION SUBUNIT 4, UBIQUITIN-CONJUGATING ENZYME E2 4, ZINC ION
著者Bhaskar, V, Basquin, J, Conti, E.
登録日2015-02-12
公開日2015-04-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Architecture of the Ubiquitylation Module of the Yeast Ccr4-not Complex.
Structure, 23, 2015
5A64
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Crystal structure of mouse thiamine triphosphatase in complex with thiamine triphosphate.
分子名称: 1,2-ETHANEDIOL, THIAMINE TRIPHOSPHATASE, TRIETHYLENE GLYCOL, ...
著者Martinez, J, Truffault, V, Hothorn, M.
登録日2015-06-24
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Determinants for Substrate Binding and Catalysis in Triphosphate Tunnel Metalloenzymes.
J.Biol.Chem., 290, 2015

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