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4YLH
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Crystal structure of DpgC with bound substrate analog and Xe on oxygen diffusion pathway
分子名称: DpgC, XENON, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE
著者Li, K, Di Russo, N.V, Condurso, H.L, Roitberg, A.E, Bruner, S.D.
登録日2015-03-05
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Oxygen diffusion pathways in a cofactor-independent dioxygenase.
Chem Sci, 6, 2015
4NG1
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Previously de-ionized HEW lysozyme batch crystallized in 1.9 M CsCl
分子名称: CESIUM ION, CHLORIDE ION, Lysozyme C
著者Benas, P, Legrand, L, Ries-Kautt, M.
登録日2013-11-01
公開日2014-05-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
3PCG
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STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH THE INHIBITOR 4-HYDROXYPHENYLACETATE
分子名称: 4-HYDROXYPHENYLACETATE, BETA-MERCAPTOETHANOL, FE (III) ION, ...
著者Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H.
登録日1997-04-29
公開日1998-04-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site.
Biochemistry, 36, 1997
5KKI
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1.7-Angstrom in situ Mylar structure of hen egg-white lysozyme (HEWL) at 100 K
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, CHLORIDE ION, ...
著者Broecker, J, Ernst, O.P.
登録日2016-06-21
公開日2017-02-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A Versatile System for High-Throughput In Situ X-ray Screening and Data Collection of Soluble and Membrane-Protein Crystals.
Cryst Growth Des, 16, 2016
1UQZ
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BU of 1uqz by Molmil
Xylanase Xyn10B mutant (E262S) from Cellvibrio mixtus in complex with 4-O-methyl glucuronic acid
分子名称: 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, CHLORIDE ION, ENDOXYLANASE, ...
著者Pell, G, Taylor, E.J, Gloster, T.M, Turkenburg, J.P, Fontes, C.M.G.A, Ferreira, L.M.A, Davies, G.J, Gilbert, H.J.
登録日2003-10-24
公開日2003-12-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The Mechanisms by which Family 10 Glycoside Hydrolases Bind Decorated Substrates
J.Biol.Chem., 279, 2004
4NGI
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Previously de-ionized HEW lysozyme crystallized in 1.0 M RbCl and collected at 125K
分子名称: CHLORIDE ION, Lysozyme C, RUBIDIUM ION
著者Benas, P, Legrand, L, Ries-Kautt, M.
登録日2013-11-02
公開日2014-05-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
1UR8
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Interactions of a family 18 chitinase with the designed inhibitor HM508, and its degradation product, chitobiono-delta-lactone
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHITINASE B, GLYCEROL, ...
著者Vaaje-Kolstad, G, Vasella, A, Peter, M.G, Netter, C, Houston, D.R, Westereng, B, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
登録日2003-10-27
公開日2004-04-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Interactions of a Family 18 Chitinase with the Designed Inhibitor Hm508 and its Degradation Product, Chitobiono-Delta-Lactone.
J.Biol.Chem., 279, 2004
1GZJ
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BU of 1gzj by Molmil
Structure of Thermoascus aurantiacus family 5 endoglucanase
分子名称: EGI
著者Lo Leggio, L, Pickersgill, R.W, Larsen, S.
登録日2002-05-23
公開日2002-08-06
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献The 1.62 A Structure of Thermoascus Aurantiacus Endoglucanase: Completing the Structural Picture of Subfamilies in Glycoside Hydrolase Family 5
FEBS Lett., 523, 2002
3PCE
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BU of 3pce by Molmil
STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE COMPLEXED WITH 3-HYDROXYPHENYLACETATE
分子名称: 3-HYDROXYPHENYLACETATE, BETA-MERCAPTOETHANOL, FE (III) ION, ...
著者Elango, N, Orville, A.M, Lipscomb, J.D, Ohlendorf, D.H.
登録日1997-04-29
公開日1998-04-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structures of competitive inhibitor complexes of protocatechuate 3,4-dioxygenase: multiple exogenous ligand binding orientations within the active site.
Biochemistry, 36, 1997
5KLO
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BU of 5klo by Molmil
Crystal structure of thioacyl intermediate in 2-aminomuconate 6-semialdehyde dehydrogenase N169A
分子名称: (2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A.
登録日2016-06-24
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism.
J.Biol.Chem., 291, 2016
4NKV
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BU of 4nkv by Molmil
Human steroidogenic cytochrome P450 17A1 mutant A105L with inhibitor abiraterone
分子名称: Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Scott, E.E, Petrunak, E.M.
登録日2013-11-13
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.646 Å)
主引用文献Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates.
J.Biol.Chem., 289, 2014
4NHM
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BU of 4nhm by Molmil
Crystal structure of Tpa1p from Saccharomyces cerevisiae, termination and polyadenylation protein 1, in complex with N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
分子名称: GLYCEROL, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, ...
著者Scotti, J.S, McDonough, M.A, Schofield, C.J.
登録日2013-11-05
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the Ribosomal Oxygenase OGFOD1 Provides Insights into the Regio- and Stereoselectivity of Prolyl Hydroxylases.
Structure, 23, 2015
5R86
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BU of 5r86 by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z943693514 in complex with INTERLEUKIN-1 BETA
分子名称: Interleukin-1 beta, SULFATE ION, ~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-03
公開日2020-04-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5L1B
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BU of 5l1b by Molmil
AMPA subtype ionotropic glutamate receptor GluA2 in Apo state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2,Glutamate receptor 2
著者Yelshanskaya, M.V, Singh, A.K, Sampson, J.M, Sobolevsky, A.I.
登録日2016-07-28
公開日2016-10-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural Bases of Noncompetitive Inhibition of AMPA-Subtype Ionotropic Glutamate Receptors by Antiepileptic Drugs.
Neuron, 91, 2016
5R8H
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BU of 5r8h by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z111716368 in complex with INTERLEUKIN-1 BETA
分子名称: Interleukin-1 beta, N-[2-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide, SULFATE ION
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-03
公開日2020-04-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
4YPR
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BU of 4ypr by Molmil
Crystal Structure of D144N MutY bound to its anti-substrate
分子名称: A/G-specific adenine glycosylase, DNA (5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3'), DNA (5'-D(*T*GP*TP*CP*CP*AP*CP*GP*TP*CP*T)-3'), ...
著者Wang, L, Lee, S, Verdine, G.L.
登録日2015-03-13
公開日2015-05-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural Basis for Avoidance of Promutagenic DNA Repair by MutY Adenine DNA Glycosylase.
J.Biol.Chem., 290, 2015
1UYP
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BU of 1uyp by Molmil
The three-dimensional structure of beta-fructosidase (invertase) from Thermotoga maritima
分子名称: BETA-FRUCTOSIDASE, CITRIC ACID, GLYCEROL, ...
著者Alberto, F, Bignon, C, Sulzenbacher, G, Henrissat, B, Czjzek, M.
登録日2004-03-02
公開日2004-03-22
最終更新日2018-06-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The three-dimensional structure of invertase (beta-fructosidase) from Thermotoga maritima reveals a bimodular arrangement and an evolutionary relationship between retaining and inverting glycosidases.
J. Biol. Chem., 279, 2004
1GRT
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BU of 1grt by Molmil
HUMAN GLUTATHIONE REDUCTASE A34E/R37W MUTANT
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE
著者Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F.
登録日1996-12-17
公開日1997-06-16
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
1H4I
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BU of 1h4i by Molmil
Methylobacterium extorquens methanol dehydrogenase
分子名称: CALCIUM ION, METHANOL DEHYDROGENASE SUBUNIT 1, METHANOL DEHYDROGENASE SUBUNIT 2, ...
著者Ghosh, M, Anthony, C, Harlos, K, Goodwin, M.G, Blake, C.
登録日2001-05-11
公開日2001-06-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The Refined Structure of the Quinoprotein Methanol Dehydrogenase from Methylobacterium Extorquens at 1.94 A.
Structure, 3, 1995
5R8Y
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BU of 5r8y by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N08078b in complex with MAP kinase p38-alpha
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-04
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.679 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5R9F
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BU of 5r9f by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13724a in complex with MAP kinase p38-alpha
分子名称: 2-(4-aminophenyl)benzoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-04
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.986 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5L3H
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BU of 5l3h by Molmil
Re-refinement of 4dd4; cisplatin coordination chemistry determination at hen egg white lysozyme His15 with standard uncertainties
分子名称: AMMONIA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Helliwell, J.R, Tanley, S.W.M.
登録日2016-05-06
公開日2016-06-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cisplatin coordination chemistry determination at hen egg white lysozyme His15 with ligand distances and angles, and their standard uncertainties, and also reporting a split occupancy effect
ArXiv, 2016
5R8K
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PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z355728146 in complex with INTERLEUKIN-1 BETA
分子名称: 2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide, Interleukin-1 beta, SULFATE ION
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-03
公開日2020-04-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5L57
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BU of 5l57 by Molmil
Crystal structure of Iso-citrate Dehydrogenase R132H in complex with a novel inhibitor (compound 13a)
分子名称: (1~{R},5~{S})-3-[6-(3-methylbutoxy)-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Levy, C.
登録日2016-05-28
公開日2016-12-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.695 Å)
主引用文献Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells.
J.Med.Chem., 59, 2016
4NKO
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Crystal structure of engineered anti-EE scFv antibody fragment
分子名称: Engineered scFv
著者Kalyoncu, S, Hyun, J, Pai, J.C, Johnson, J.L, Etzminger, K, Jain, A, Heaner Jr, D, Molares, I.A, Truskett, T.M, Maynard, J.A, Lieberman, R.L.
登録日2013-11-12
公開日2014-03-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.496 Å)
主引用文献Effects of protein engineering and rational mutagenesis on crystal lattice of single chain antibody fragments.
Proteins, 82, 2014

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