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5A0L
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BU of 5a0l by Molmil
N-terminal thioester domain of fibronectin-binding protein SfbI from Streptococcus pyogenes
分子名称: ACETATE ION, FIBRONECTIN-BINDING PROTEIN, ZINC ION
著者Walden, M, Edwards, J.M, Dziewulska, A.M, Kan, S.-Y, Schwarz-Linek, U, Banfield, M.J.
登録日2015-04-21
公開日2015-06-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献An internal thioester in a pathogen surface protein mediates covalent host binding.
Elife, 4, 2015
5BVB
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BU of 5bvb by Molmil
Engineered Digoxigenin binder DIG5.1a
分子名称: DIG5.1a, DIGOXIGENIN
著者Doyle, L.A, Stoddard, B.L.
登録日2015-06-04
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge.
J.Chem.Inf.Model., 56, 2016
5BOT
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BU of 5bot by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-carbamoyl-1H-indole-2-carboxylate
分子名称: CALCIUM ION, Collagenase 3, ZINC ION, ...
著者Farrow, N.A, Padyana, A.K.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
5APJ
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BU of 5apj by Molmil
Ligand complex of RORg LBD
分子名称: 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, NUCLEAR RECEPTOR COACTIVATOR 2, NUCLEAR RECEPTOR ROR-GAMMA, ...
著者Xue, Y, Aagaard, A, Narjes, F.
登録日2015-09-16
公開日2015-11-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma.
ChemMedChem, 11, 2016
5E0S
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BU of 5e0s by Molmil
crystal structure of the active form of the proteolytic complex clpP1 and clpP2
分子名称: ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2
著者LI, M, Wlodawer, A, Maurizi, M.
登録日2015-09-29
公開日2016-02-17
最終更新日2016-04-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and Functional Properties of the Active Form of the Proteolytic Complex, ClpP1P2, from Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
5DMU
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BU of 5dmu by Molmil
Structure of the NHEJ polymerase from Methanocella paludicola
分子名称: 1,2-ETHANEDIOL, GLYCEROL, NHEJ Polymerase, ...
著者Brissett, N.C, Bartlett, E.J, Doherty, A.J.
登録日2015-09-09
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献Molecular basis for DNA strand displacement by NHEJ repair polymerases.
Nucleic Acids Res., 44, 2016
5BS9
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BU of 5bs9 by Molmil
Crystal structure of N109A mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2015-06-01
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
5BOY
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BU of 5boy by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-(1-methyl-1H-imidazol-5-yl)-1H-indole-2-Carboxylate
分子名称: CALCIUM ION, Collagenase 3, ZINC ION, ...
著者Farrow, N.A.
登録日2015-05-27
公開日2015-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
5BTS
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BU of 5bts by Molmil
Structural and biophysical characterization of a covalent insulin dimer formed during storage of neutral formulation of human insulin
分子名称: Insulin A chain, Insulin B chain
著者Norrman, M, Hjorth, C.F.
登録日2015-06-03
公開日2016-03-09
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure, Aggregation, and Activity of a Covalent Insulin Dimer Formed During Storage of Neutral Formulation of Human Insulin.
J.Pharm.Sci., 105, 2016
5DW0
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BU of 5dw0 by Molmil
TrpB from Pyrococcus furiosus with L-serine bound as the external aldimine
分子名称: SODIUM ION, Tryptophan synthase beta chain 1, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
著者Buller, A.R, Arnold, F.H.
登録日2015-09-22
公開日2015-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
5DZR
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BU of 5dzr by Molmil
Structure of RNA Helicase FRH a Critical Component of the Neurospora Crassa Circadian Clock
分子名称: FRQ-interacting RNA helicase
著者Conrad, K.S, Crane, B.C.
登録日2015-09-26
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.161 Å)
主引用文献Structure of the frequency-interacting RNA helicase: a protein interaction hub for the circadian clock.
Embo J., 35, 2016
5E5G
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BU of 5e5g by Molmil
3-deoxy-D-arabino-heptulosonate 7-phosphate synthase with D-tryptophan bound in the tryptophan and phenylalanine binding sites
分子名称: 3-deoxy-D-arabinoheptulosonate-7-phosphate synthase, D-TRYPTOPHAN, MANGANESE (II) ION, ...
著者Reichau, S, Jiao, W, Parker, E.J.
登録日2015-10-08
公開日2016-06-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Probing the Sophisticated Synergistic Allosteric Regulation of Aromatic Amino Acid Biosynthesis in Mycobacterium tuberculosis Using -Amino Acids.
Plos One, 11, 2016
5E8C
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BU of 5e8c by Molmil
pseudorabies virus nuclear egress complex, pUL31, pUL34
分子名称: CHLORIDE ION, UL31, UL34 protein, ...
著者Zeev-Ben-Mordehai, T, Cheleski, J, Whittle, C, El Omari, K, Harlos, K, Hagen, C, Klupp, B, Mettenleiter, T.C, Gruenewald, K.
登録日2015-10-14
公開日2015-12-23
最終更新日2016-01-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of the Herpesvirus Nuclear Egress Complex Provides Insights into Inner Nuclear Membrane Remodeling.
Cell Rep, 13, 2015
5EBT
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BU of 5ebt by Molmil
Tankyrase 1 with Phthalazinone 2
分子名称: (R,R)-2,3-BUTANEDIOL, 4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one, Tankyrase-1, ...
著者Kazmirski, S.L, Johannes, J.
登録日2015-10-19
公開日2016-03-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015
5DMP
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BU of 5dmp by Molmil
Structure of the Archaeal NHEJ Phosphoesterase from Methanocella paludicola.
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein, ...
著者Brissett, N.C, Bartlett, E.J, Doherty, A.J.
登録日2015-09-09
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.793 Å)
主引用文献Molecular basis for DNA strand displacement by NHEJ repair polymerases.
Nucleic Acids Res., 44, 2016
4QKV
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BU of 4qkv by Molmil
Crystal structure of the mouse cavin1 HR1 domain
分子名称: Polymerase I and transcript release factor
著者Kovtun, O, Tillu, V, Parton, R.G, Collins, B.M.
登録日2014-06-10
公開日2015-03-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural insights into the organization of the cavin membrane coat complex
Dev.Cell, 31, 2014
4PY1
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BU of 4py1 by Molmil
Crystal structure of Tyk2 in complex with compound 15, 6-((2,5-dimethoxyphenyl)thio)-3-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
分子名称: 6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine, Non-receptor tyrosine-protein kinase TYK2
著者Han, S, Knafels, J.D.
登録日2014-03-25
公開日2014-09-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Kinase domain inhibition of leucine rich repeat kinase 2 (LRRK2) using a [1,2,4]triazolo[4,3-b]pyridazine scaffold.
Bioorg.Med.Chem.Lett., 24, 2014
4PZ1
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BU of 4pz1 by Molmil
Crystal structure of a sHIP (UniProt Id: Q99XU0) mutant from Streptococcus pyogenes
分子名称: CALCIUM ION, CHLORIDE ION, sHIP
著者Wisniewska, M, Happonen, L, Frick, I.-M, Bjorck, L, Streicher, W, Malmstrom, J, Wikstrom, M.
登録日2014-03-28
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Functional and structural properties of a novel protein and virulence factor (Protein sHIP) in Streptococcus pyogenes.
J.Biol.Chem., 289, 2014
8IRK
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BU of 8irk by Molmil
Carbon Sulfoxide lyase
分子名称: PYRIDOXAL-5'-PHOSPHATE, PYRUVIC ACID, Probable hercynylcysteine sulfoxide lyase
著者Gong, W.M, Wei, L.L, Liu, L.
登録日2023-03-18
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of Mycobacterial ergothioneine-biosynthesis C-S lyase EgtE
To Be Published
4Q4W
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BU of 4q4w by Molmil
High-resolution crystal structure of Coxsackievirus A24v
分子名称: CALCIUM ION, CHLORIDE ION, Coxsackievirus capsid protein VP1, ...
著者Zocher, G, Stehle, T.
登録日2014-04-15
公開日2014-11-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献A sialic Acid binding site in a human picornavirus.
Plos Pathog., 10, 2014
4QBL
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BU of 4qbl by Molmil
VRR_NUC domain protein
分子名称: MAGNESIUM ION, VRR-NUC
著者Smerdon, S.J, Pennell, S, Li, J.
登録日2014-05-08
公開日2014-09-10
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献FAN1 activity on asymmetric repair intermediates is mediated by an atypical monomeric virus-type replication-repair nuclease domain.
Cell Rep, 8, 2014
4QEU
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BU of 4qeu by Molmil
Crystal structure of BRD2(BD2) mutant in free form
分子名称: ACETATE ION, Bromodomain-containing protein 2, GLYCEROL
著者Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A.
登録日2014-05-19
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Chemical biology. A bump-and-hole approach to engineer controlled selectivity of BET bromodomain chemical probes.
Science, 346, 2014
4PX5
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BU of 4px5 by Molmil
Human GKRP bound to AMG-0696 and Sorbitol-6-phosphate
分子名称: D-SORBITOL-6-PHOSPHATE, GLYCEROL, Glucokinase regulatory protein, ...
著者Jordan, S.R, Chmait, S.
登録日2014-03-21
公開日2015-05-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Structure Guided Optimization of Diarylmethanesulfonamide Disruptors of GK-GKRP Binding
To be Published
4PZ5
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BU of 4pz5 by Molmil
Crystal structure of the second and third fibronectin F1 modules in complex with a fragment of BBK32 from Borrelia burgdorferi
分子名称: Fibronectin, Fibronectin-binding protein BBK32
著者Harris, G, Potts, J.R.
登録日2014-03-28
公開日2014-07-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Borrelia burgdorferi Protein BBK32 Binds to Soluble Fibronectin via the N-terminal 70-kDa Region, Causing Fibronectin to Undergo Conformational Extension.
J.Biol.Chem., 289, 2014
4Q4V
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BU of 4q4v by Molmil
Crystal structure of Coxsackievirus A24v
分子名称: Coxsackievirus capsid protein VP1, Coxsackievirus capsid protein VP2, Coxsackievirus capsid protein VP3, ...
著者Zocher, G, Stehle, T.
登録日2014-04-15
公開日2014-11-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A sialic Acid binding site in a human picornavirus.
Plos Pathog., 10, 2014

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