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4WPK
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BU of 4wpk by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase, Form I
分子名称: CITRIC ACID, SODIUM ION, Uracil-DNA glycosylase
著者Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
登録日2014-10-20
公開日2015-07-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
4FRC
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BU of 4frc by Molmil
Carbonic Anhydrase II in complex with N'-sulfamoylpyrrolidine-1-carboximidamide
分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ...
著者Di Pizio, A, Heine, A, Klebe, G.
登録日2012-06-26
公開日2013-07-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
3V1A
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BU of 3v1a by Molmil
Crystal structure of de novo designed MID1-apo1
分子名称: Computational design, MID1-apo1
著者Der, B.S, Machius, M, Miley, M.J, Kuhlman, B.
登録日2011-12-09
公開日2012-01-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer.
J.Am.Chem.Soc., 134, 2012
3I5E
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BU of 3i5e by Molmil
Allosteric Modulation of DNA by Small Molecules
分子名称: 5'-D(*CP*CP*AP*GP*GP*CP*CP*TP*GP*G)-3', CALCIUM ION
著者Chenoweth, D.M, Dervan, P.B.
登録日2009-07-05
公開日2009-07-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Allosteric modulation of DNA by small molecules
Proc.Natl.Acad.Sci.USA, 106, 2009
5KXV
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BU of 5kxv by Molmil
Structure Proteinase K at 0.98 Angstroms
分子名称: CALCIUM ION, GLYCEROL, NITRATE ION, ...
著者Masuda, T, Suzuki, M, Inoue, S, Numata, K, Sugahara, M.
登録日2016-07-20
公開日2017-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Atomic resolution structure of serine protease proteinase K at ambient temperature.
Sci Rep, 7, 2017
3JUD
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BU of 3jud by Molmil
Human gamma-glutamylamine cyclotransferase, E82Q mutant
分子名称: AIG2-like domain-containing protein 1, NITRATE ION
著者Oakley, A.J.
登録日2009-09-15
公開日2010-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Identification and characterization of {gamma}-glutamylamine cyclotransferase: An enzyme responsible for {gamma}-glutamyl-{epsilon}-lysine catabolism
J.Biol.Chem., 285, 2010
1IC6
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BU of 1ic6 by Molmil
STRUCTURE OF A SERINE PROTEASE PROTEINASE K FROM TRITIRACHIUM ALBUM LIMBER AT 0.98 A RESOLUTION
分子名称: CALCIUM ION, NITRATE ION, PROTEINASE K
著者Betzel, C, Gourinath, S, Kumar, P, Kaur, P, Perbandt, M, Eschenburg, S, Singh, T.P.
登録日2001-03-30
公開日2001-04-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Structure of a serine protease proteinase K from Tritirachium album limber at 0.98 A resolution.
Biochemistry, 40, 2001
3FSA
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BU of 3fsa by Molmil
Pseudomonas aeruginosa Azurin with mutated metal-binding loop sequence (CAAHAAM); chemically reduced.
分子名称: Azurin, COPPER (I) ION
著者Banfield, M.J.
登録日2009-01-09
公開日2009-03-10
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Metal-binding loop length and not sequence dictates structure.
Proc.Natl.Acad.Sci.USA, 106, 2009
3PSM
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BU of 3psm by Molmil
.98A crystal structure of a dimeric plant defensin SPE10
分子名称: Defensin
著者Zhou, H, Song, X, Gong, W.
登録日2010-12-01
公開日2010-12-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献0.98A crystal structure of a dimeric plant defensin SPE10
To be Published
4AWT
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BU of 4awt by Molmil
Crystal structure of the reduced Shewanella Yellow Enzyme 1 (SYE1) M25L mutant
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, FLAVIN MONONUCLEOTIDE, SULFATE ION, ...
著者Elegheert, J, Brige, A, Savvides, S.N.
登録日2012-06-05
公開日2013-06-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Modulation of Isoalloxazine Ring Planarity Influences Fmn Electronic Properties in Old Yellow Enzymes
To be Published
5SAR
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BU of 5sar by Molmil
Endothiapepsin in complex with compound FU290-1
分子名称: (1,4-phenylene)bis(methylene) dicarbamimidothioate, Endothiapepsin
著者Wollenhaupt, J, Metz, A, Messini, N, Barthel, T, Klebe, G, Weiss, M.S.
登録日2021-05-28
公開日2021-09-01
最終更新日2021-09-29
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Acta Crystallogr D Struct Biol, 77, 2021
7PMT
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BU of 7pmt by Molmil
Human Cyclophilin D in complex with N-[(5-ethyl-4-oxo-1,2,3,4,5,6- hexahydro-1,5-benzodiazocin-8-yl)methyl]-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
分子名称: DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ...
著者Silva, D.O, Graedler, U, Bandeiras, T.M.
登録日2021-09-02
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Human Cyclophilin D in complex with N-[(4-aminophenyl)methyl]-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
To Be Published
3JU4
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BU of 3ju4 by Molmil
Crystal Structure Analysis of EndosialidaseNF at 0.98 A Resolution
分子名称: CHLORIDE ION, Endo-N-acetylneuraminidase, N-acetyl-beta-neuraminic acid, ...
著者Schulz, E.C, Neuman, P, Gerardy-Schahn, R, Sheldrick, G.M, Ficner, R.
登録日2009-09-14
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Structure analysis of endosialidase NF at 0.98 A resolution.
Acta Crystallogr.,Sect.D, 66, 2010
7AVE
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BU of 7ave by Molmil
Perdeuterated refolded hen egg-white lysozyme at 100 K
分子名称: ACETATE ION, Lysozyme C, NITRATE ION
著者Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Larsen, S, Mossou, E, Langkilde, A.E.
登録日2020-11-05
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme.
Iucrj, 8, 2021
5ZIO
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BU of 5zio by Molmil
Crystal structure of NDM-1 in complex with L-captopril
分子名称: L-CAPTOPRIL, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Hao, Q.
登録日2018-03-16
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors
Bioorg.Med.Chem., 29, 2020
5NFK
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BU of 5nfk by Molmil
Crystal structure of YrbA from Sinorhizobium meliloti in complex with nickel.
分子名称: LITHIUM ION, NICKEL (II) ION, YrbA
著者Roret, T, Didierjean, C.
登録日2017-03-14
公開日2018-10-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Sinorhizobium meliloti YrbA binds divalent metal cations using two conserved histidines.
Biosci.Rep., 40, 2020
8V56
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BU of 8v56 by Molmil
UIC-1 mutant - UIC-1-B5W
分子名称: UIC-1-B5W
著者Heinz-Kunert, S.L.
登録日2023-11-30
公開日2024-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Pore Restructuring of Peptide Frameworks by Mutations at Distal Packing Residues.
Biomacromolecules, 25, 2024
6LIP
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BU of 6lip by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative wss0218
分子名称: (2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Ma, G.
登録日2019-12-12
公開日2020-12-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors.
Bioorg.Med.Chem., 29, 2020
8RBI
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BU of 8rbi by Molmil
Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant H124
分子名称: Alginate lyase, DI(HYDROXYETHYL)ETHER, SODIUM ION
著者Wilkens, C.
登録日2023-12-04
公開日2024-01-17
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant H124
To Be Published
2BZZ
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BU of 2bzz by Molmil
Crystal Structures of Eosinophil-derived Neurotoxin in Complex with the Inhibitors 5'-ATP, Ap3A, Ap4A and Ap5A
分子名称: ACETIC ACID, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, NONSECRETORY RIBONUCLEASE
著者Baker, M.D, Holloway, D.E, Swaminathan, G.J, Acharya, K.R.
登録日2005-08-24
公開日2006-01-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Crystal Structures of Eosinophil-Derived Neurotoxin (Edn) in Complex with the Inhibitors 5'- ATP, Ap(3)A, Ap(4)A, and Ap(5)A.
Biochemistry, 45, 2006
7ATV
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BU of 7atv by Molmil
Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the bivalent inhibitor KN2
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha', ...
著者Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K.
登録日2020-10-31
公開日2021-08-04
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
J.Med.Chem., 65, 2022
4EKF
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BU of 4ekf by Molmil
Structure of the Inactive Adenovirus Proteinase at 0.98 Angstrom Resolution
分子名称: Adenain, SODIUM ION
著者Baniecki, M.L, McGrath, W.J, Mangel, W.F.
登録日2012-04-09
公開日2012-10-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Regulation of a Viral Proteinase by a Peptide and DNA in One-dimensional Space: III. ATOMIC RESOLUTION STRUCTURE OF THE NASCENT FORM OF THE ADENOVIRUS PROTEINASE.
J.Biol.Chem., 288, 2013
7BCU
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BU of 7bcu by Molmil
The adduct of NAMI-A with Hen Egg White Lysozyme at 1.5 hours.
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, IMIDAZOLE, ...
著者Chiniadis, L, Giastas, P, Bratsos, I, Papakyriakou, A.
登録日2020-12-21
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Insights into the Protein Ruthenation Mechanism by Antimetastatic Metallodrugs: High-Resolution X-ray Structures of the Adduct Formed between Hen Egg-White Lysozyme and NAMI-A at Various Time Points.
Inorg.Chem., 60, 2021
2G58
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BU of 2g58 by Molmil
Crystal structure of a complex of phospholipase A2 with a designed peptide inhibitor Dehydro-Ile-Ala-Arg-Ser at 0.98 A resolution
分子名称: (PHQ)IARS, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION
著者Prem Kumar, R, Singh, N, Somvanshi, R.K, Ethayathulla, A.S, Dey, S, Sharma, S, Kaur, P, Perbandt, M, Betzel, C, Singh, T.P.
登録日2006-02-22
公開日2006-03-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Crystal structure of a complex of phospholipase A2 with a designed peptide inhibitor Dehydro-Ile-Ala-Arg-Ser at 0.98 A resolution
To be Published
2WW6
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BU of 2ww6 by Molmil
foldon containing D-amino acids in turn positions
分子名称: FIBRITIN, TETRAETHYLENE GLYCOL
著者Eckhardt, B, Grosse, W, Essen, L.-O, Geyer, A.
登録日2009-10-22
公開日2010-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Structural Characterization of a Beta-Turn Mimic within a Protein-Protein Interface.
Proc.Natl.Acad.Sci.USA, 107, 2010

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