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2VHK
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BU of 2vhk by Molmil
Atomic resolution (0.94 A) structure of purified thaumatin I grown in sodium L-tartrate at 22C
分子名称: GLYCEROL, L(+)-TARTARIC ACID, THAUMATIN-I
著者Jakoncic, J, Asherie, N, Ginsberg, C.
登録日2007-11-21
公開日2009-02-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Tartrate Chirality Determines Thaumatin Crystal Habit
Cryst.Growth Des., 9, 2009
6Y1P
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BU of 6y1p by Molmil
Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
分子名称: 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, CITRIC ACID, ...
著者Hubert, L.-S, Ley, M, Heine, A, Klebe, G.
登録日2020-02-13
公開日2021-02-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Human Aldose Reductase Mutant L300/301A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
To Be Published
2ZQ7
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BU of 2zq7 by Molmil
Apo structure of Class A beta-lactamase Toho-1 E166A/R274N/R276N triple mutant
分子名称: Beta-lactamase Toho-1, SULFATE ION
著者Shimamura, T, Nitanai, Y, Uchiyama, T, Ago, H, Matsuzawa, H, Miyano, M.
登録日2008-08-07
公開日2009-07-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Improvement of the Crystal Quality by the Surface Mutations on a Beta-Lactamase Toho-1
To be Published
3QR7
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BU of 3qr7 by Molmil
Crystal structure of the C-terminal fragment of the bacteriophage P2 membrane-piercing protein gpV
分子名称: Baseplate assembly protein V, CALCIUM ION, CHLORIDE ION, ...
著者Browning, C, Shneider, M, Leiman, P.G.
登録日2011-02-17
公開日2012-02-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Phage pierces the host cell membrane with the iron-loaded spike.
Structure, 20, 2012
1A7Y
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BU of 1a7y by Molmil
CRYSTAL STRUCTURE OF ACTINOMYCIN D
分子名称: ACTINOMYCIN D, ETHYL ACETATE, METHANOL
著者Schafer, M, Sheldrick, G.M, Bahner, I, Lackner, H.
登録日1998-03-19
公開日1999-03-23
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Crystal Structures of Actinomycin D and Actinomycin Z3.
Angew.Chem.Int.Ed.Engl., 37, 1998
1NLS
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BU of 1nls by Molmil
CONCANAVALIN A AND ITS BOUND SOLVENT AT 0.94A RESOLUTION
分子名称: CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION
著者Deacon, A.M, Gleichmann, T, Helliwell, J.R, Kalb(Gilboa), A.J.
登録日1997-01-28
公開日1997-11-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献The Structure of Concanavalin a and its Bound Solvent Determined with Small-Molecule Accuracy at 0.94 A Resolution
J.Chem.Soc.,Faraday Trans., 93, 1997
1ZFF
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BU of 1zff by Molmil
TTC Duplex B-DNA
分子名称: 5'-D(*CP*CP*GP*AP*AP*TP*TP*CP*GP*G)-3'
著者Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
登録日2005-04-20
公開日2005-05-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2V8B
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BU of 2v8b by Molmil
SAD Structure solution of Proteinase K grown in selenate solution
分子名称: CALCIUM ION, PROTEINASE K, SELENATE ION
著者Jakoncic, J, Stojanoff, V.
登録日2007-08-06
公開日2008-08-26
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Selenate Substitution: Application in Protein Crystallography
To be Published
4BY8
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BU of 4by8 by Molmil
Microheterogeneous Paracelsin-X from Trichoderma reesei
分子名称: METHANOL, PARACELSIN-X
著者Gessmann, R, Petratos, K.
登録日2013-07-18
公開日2013-08-21
最終更新日2019-04-17
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Microheterogeneous Paracelsin-X from Trichoderma Reesei
To be Published
1GVU
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BU of 1gvu by Molmil
Endothiapepsin complex with H189
分子名称: ENDOTHIAPEPSIN, INHIBITOR, H189, ...
著者Coates, L, Erskine, P.T, Crump, M.P, Wood, S.P, Cooper, J.B.
登録日2002-02-27
公開日2002-07-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism
J.Mol.Biol., 318, 2002
2PPP
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BU of 2ppp by Molmil
Crystal structure of E60Q mutant of FKBP12
分子名称: FK506-binding protein 1A
著者Szep, S, Park, S, VanDuyne, G.D, Saven, J.F.
登録日2007-04-30
公開日2008-09-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Structural coupling between FKBP12 and buried water.
Proteins, 74, 2009
2GLK
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BU of 2glk by Molmil
High-resolution study of D-Xylose isomerase, 0.94A resolution.
分子名称: GLYCEROL, MANGANESE (II) ION, Xylose isomerase
著者Katz, A.K, Carrell, H.L, Hanson, B.L, Harp, J.M, Glusker, J.P, Bunick, G.J.
登録日2006-04-05
公開日2006-05-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Locating active-site hydrogen atoms in D-xylose isomerase: Time-of-flight neutron diffraction.
Proc.Natl.Acad.Sci.Usa, 103, 2006
5RVI
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BU of 5rvi by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000084843283
分子名称: CHLORZOXAZONE, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
2GUD
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BU of 2gud by Molmil
Crystal structure of a complex of griffithsin with mannose at 0.94 A resolution
分子名称: 1,2-ETHANEDIOL, SULFATE ION, alpha-D-mannopyranose, ...
著者Ziolkowska, N.E, Wlodawer, A.
登録日2006-04-29
公開日2006-08-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Domain-swapped structure of the potent antiviral protein griffithsin and its mode of carbohydrate binding.
Structure, 14, 2006
1GVK
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BU of 1gvk by Molmil
Porcine pancreatic elastase acyl enzyme at 0.95 A resolution
分子名称: CALCIUM ION, ELASTASE 1, PEPTIDE INHIBITOR, ...
著者Katona, G, Wilmouth, R.C, Wright, P.A, Berglund, G.I, Hajdu, J, Neutze, R, Schofield, C.J.
登録日2002-02-14
公開日2002-07-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献X-Ray Structure of a Serine Protease Acyl-Enzyme Complex at 0.95-A Resolution.
J.Biol.Chem., 277, 2002
2FDN
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BU of 2fdn by Molmil
2[4FE-4S] FERREDOXIN FROM CLOSTRIDIUM ACIDI-URICI
分子名称: FERREDOXIN, IRON/SULFUR CLUSTER
著者Dauter, Z, Wilson, K.S, Sieker, L.C, Meyer, J, Moulis, J.M.
登録日1997-10-01
公開日1998-04-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Atomic resolution (0.94 A) structure of Clostridium acidurici ferredoxin. Detailed geometry of [4Fe-4S] clusters in a protein.
Biochemistry, 36, 1997
6RZH
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BU of 6rzh by Molmil
Galectin-3C in complex with para-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-06-13
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.947 Å)
主引用文献Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C.
Jacs Au, 1, 2021
6RH4
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BU of 6rh4 by Molmil
Human Carbonic Anhydrase II in complex with 4-Nitrobenzenesulfonamide.
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-nitrobenzenesulfonamide, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-04-18
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.948 Å)
主引用文献The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
4MZC
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BU of 4mzc by Molmil
Atomic Resolution Structure of PfGrx1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin
著者Yogavel, M, Sharma, A.
登録日2013-09-30
公開日2013-10-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.949 Å)
主引用文献Atomic resolution crystal structure of glutaredoxin 1 from Plasmodium falciparum and comparison with other glutaredoxins.
Acta Crystallogr.,Sect.D, 70, 2014
5R3C
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BU of 5r3c by Molmil
PanDDA analysis group deposition -- Auto-refined data of Endothiapepsin for ground state model 36, DMSO-Free
分子名称: Endothiapepsin
著者Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S.
登録日2020-02-13
公開日2020-06-03
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (0.949 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
2YL0
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BU of 2yl0 by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: AS ISOLATED L16A VARIANT AT 0.95 A RESOLUTION
分子名称: CARBON MONOXIDE, CYTOCHROME C', HEME C
著者Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
登録日2011-05-30
公開日2011-10-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
7FXF
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BU of 7fxf by Molmil
Crystal Structure of human FABP4 in complex with 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid
分子名称: 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
4G9S
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BU of 4g9s by Molmil
Crystal structure of Escherichia coli PliG in complex with Atlantic salmon g-type lysozyme
分子名称: CHLORIDE ION, CITRATE ANION, Goose-type lysozyme, ...
著者Leysen, S, Vanderkelen, L, Weeks, S.D, Michiels, C.W, Strelkov, S.V.
登録日2012-07-24
公開日2012-11-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Structural basis of bacterial defense against g-type lysozyme-based innate immunity.
Cell.Mol.Life Sci., 70, 2013
7FWK
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BU of 7fwk by Molmil
Crystal Structure of human FABP4 in complex with 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide
分子名称: 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
1N1P
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BU of 1n1p by Molmil
ATOMIC RESOLUTION STRUCTURE OF CHOLESTEROL OXIDASE @ pH 7.4 (STREPTOMYCES SP. SA-COO)
分子名称: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Vrielink, A, Lario, P.I.
登録日2002-10-18
公開日2003-10-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Atomic Resolution Density Maps Reveal Secondary Structure Dependent Differences in Electronic Distribution
J.Am.Chem.Soc., 125, 2003

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