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6NJE
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BU of 6nje by Molmil
Crystal structure of the motor domain of human kinesin family member 22
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Kinesin-like protein KIF22, ...
著者Walker, B.C, Zhu, H, Tempel, W, Arrowsmith, C.H, Edwards, A.M, Park, H, Cochran, J.C, Structural Genomics Consortium (SGC)
登録日2019-01-03
公開日2019-01-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the motor domain of human kinesin family member 22
To Be Published
5HBN
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BU of 5hbn by Molmil
ClpC N-terminal domain with bound phospho-arginine
分子名称: ACETATE ION, Negative regulator of genetic competence ClpC/MecB, SULFATE ION, ...
著者Suskiewicz, M.J, Clausen, T.
登録日2016-01-01
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Arginine phosphorylation marks proteins for degradation by a Clp protease.
Nature, 539, 2016
6N3J
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BU of 6n3j by Molmil
MicroED Structure of the CTD-SP1 fragment of HIV-1 Gag
分子名称: CTD-SP1 fragment of HIV-1 Gag
著者Purdy, M.D, Shi, D, Hattne, J, Chrustowicz, J.
登録日2018-11-15
公開日2018-12-12
最終更新日2023-10-11
実験手法ELECTRON CRYSTALLOGRAPHY (3 Å)
主引用文献MicroED structures of HIV-1 Gag CTD-SP1 reveal binding interactions with the maturation inhibitor bevirimat.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3HKP
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BU of 3hkp by Molmil
Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with protocatechuate
分子名称: (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 3,4-DIHYDROXYBENZOIC ACID, Catechol 1,2-dioxygenase, ...
著者Matera, I, Ferraroni, M, Kolomytseva, M, Briganti, F, Scozzafava, A.
登録日2009-05-25
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts.
J.Struct.Biol., 170, 2010
5KMW
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BU of 5kmw by Molmil
TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
分子名称: Beta-lactamase Toho-1, OPEN FORM - PENICILLIN G, PENICILLIN G, ...
著者Coates, L, Langan, P.S, Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Ginell, S.L.
登録日2016-06-27
公開日2017-03-01
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
to be published
2POQ
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BU of 2poq by Molmil
Dimeric Dihydrodiol Dehydrogenase complexed with inhibitor, Isoascorbic acid
分子名称: BETA-MERCAPTOETHANOL, Dimeric dihydrodiol dehydrogenase, ISOASCORBIC ACID, ...
著者Carbone, V, El-Kabbani, O.
登録日2007-04-27
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structure of monkey dimeric dihydrodiol dehydrogenase in complex with isoascorbic acid.
Acta Crystallogr.,Sect.D, 64, 2008
2PJ1
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BU of 2pj1 by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B (3-Aminomethyl-phenyl)-[((R)-1-benzyloxycarbonylamino-2-methyl-propyl)-hydroxy-phosphinoyloxy]-acetic acid COMPLEX
分子名称: (5R,6S,8S)-8-[3-(AMINOMETHYL)PHENYL]-6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
5FPO
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BU of 5fpo by Molmil
Structure of Bacterial DNA Ligase with small-molecule ligand 1H- indazol-7-amine (AT4213) in an alternate binding site.
分子名称: 1H-indazol-7-amine, DNA LIGASE
著者Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A.
登録日2015-12-02
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
5FPY
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BU of 5fpy by Molmil
Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 5-bromo-1-methyl-1H-indole-2-carboxylic acid (AT21457) in an alternate binding site.
分子名称: 5-bromo-1-methyl-1H-indole-2-carboxylic acid, SERINE PROTEASE NS3
著者Davies, T.G, Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M.
登録日2015-12-03
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
5FPD
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BU of 5fpd by Molmil
Structure of heat shock-related 70kDA protein 2 with small-molecule ligand pyrazine-2-carboxamide (AT513) in an alternate binding site.
分子名称: HEAT SHOCK-RELATED 70KDA PROTEIN 2, PYRAZINE-2-CARBOXAMIDE
著者Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M.
登録日2015-11-28
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
4PYT
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BU of 4pyt by Molmil
Crystal structure of a MurB family EP-UDP-N-acetylglucosamine reductase
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Cao, H, Franz, L, Sen, S, Bingman, C.A, Auldridge, M, Steinmetz, E, Mead, D, Phillips Jr, G.N.
登録日2014-03-27
公開日2014-05-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献LucY: A Versatile New Fluorescent Reporter Protein.
Plos One, 10, 2015
3CDN
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BU of 3cdn by Molmil
Crystal structure of a pheromone binding protein from Apis mellifera soaked at pH 4.0
分子名称: CHLORIDE ION, GLYCEROL, Pheromone-binding protein ASP1
著者Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C.
登録日2008-02-27
公開日2008-06-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of the honey bee PBP pheromone and pH-induced conformational change
J.Mol.Biol., 380, 2008
5E29
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BU of 5e29 by Molmil
Crystal Structure of Deoxygenated Hemoglobin in Complex with an Allosteric Effector and Nitric Oxide
分子名称: 2-(nitrooxy)ethyl 2-(4-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}phenoxy)-2-methylpropanoate, 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID, CACODYLATE ION, ...
著者Safo, M.K, Deshpande, T.M.
登録日2015-09-30
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design, Synthesis, and Investigation of Novel Nitric Oxide (NO)-Releasing Prodrugs as Drug Candidates for the Treatment of Ischemic Disorders: Insights into NO-Releasing Prodrug Biotransformation and Hemoglobin-NO Biochemistry.
Biochemistry, 54, 2015
6MYA
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BU of 6mya by Molmil
Crystal structure of InvbP.18715.a.KN11: Influenza hemagglutinin from strain A/Almaty/32/1998
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-11-01
公開日2018-11-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural characterisation of hemagglutinin from seven Influenza A H1N1 strains reveal diversity in the C05 antibody recognition site.
Sci Rep, 13, 2023
5LAB
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BU of 5lab by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor NNGH
分子名称: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
著者Ravera, E, Calderone, V, Luchinat, C.
登録日2016-06-14
公開日2016-08-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献First-principles calculation of pseudo-contact shifts in a paramagnetic metalloprotein
To Be Published
3J0L
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BU of 3j0l by Molmil
Core of mammalian 80S pre-ribosome in complex with tRNAs fitted to a 9.8A cryo-EM map: classic PRE state 1
分子名称: 40S ribosomal RNA fragment, 60S ribosomal RNA fragment, Ribosomal protein L10, ...
著者Budkevich, T, Giesebrecht, J, Altman, R, Munro, J, Mielke, T, Nierhaus, K, Blanchard, S, Spahn, C.M.
登録日2011-10-04
公開日2011-11-16
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (9.8 Å)
主引用文献Structure and dynamics of the Mammalian ribosomal pretranslocation complex.
Mol.Cell, 44, 2011
5HNT
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BU of 5hnt by Molmil
Crystal Structure of AKR1C3 complexed with CAPE
分子名称: 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, C, Zhao, Y, Zhang, H, Hu, X.
登録日2016-01-18
公開日2017-03-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of AKR1C3 complexed with octyl gallate
To Be Published
3IHM
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BU of 3ihm by Molmil
Structure of the oxygenase component of a Pseudomonas styrene monooxygenase
分子名称: Styrene monooxygenase A
著者Rosenzweig, A.C, Ukaegbu, U.E, Gassner, G.
登録日2009-07-30
公開日2010-04-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and ligand binding properties of the epoxidase component of styrene monooxygenase
Biochemistry, 49, 2010
5HNU
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BU of 5hnu by Molmil
Crystal Structure of AKR1C3 complexed with octyl gallate
分子名称: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, octyl 3,4,5-trihydroxybenzoate
著者Li, C, Zhao, Y, Zhang, H, Hu, X.
登録日2016-01-18
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of AKR1C3 complexed with octyl gallte
To Be Published
5HWT
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BU of 5hwt by Molmil
Crystal structure of apo-PAS1
分子名称: Sensor histidine kinase TodS
著者Hwang, J, Koh, S.
登録日2016-01-29
公開日2016-03-02
最終更新日2017-12-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System.
J. Biol. Chem., 291, 2016
5CHR
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BU of 5chr by Molmil
Dehaloperoxidase B in complex with substrate p-nitrocatechol
分子名称: 4-NITROCATECHOL, Dehaloperoxidase B, GLYCEROL, ...
著者Carey, L, Ghiladi, R.
登録日2015-07-10
公開日2016-04-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Nonmicrobial Nitrophenol Degradation via Peroxygenase Activity of Dehaloperoxidase-Hemoglobin from Amphitrite ornata.
Biochemistry, 55, 2016
2OM3
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BU of 2om3 by Molmil
High-resolution cryo-EM structure of Tobacco Mosaic Virus
分子名称: Coat protein, Tobacco Mosaic Virus RNA
著者Sachse, C.
登録日2007-01-20
公開日2007-10-16
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献High-resolution electron microscopy of helical specimens: a fresh look at tobacco mosaic virus.
J.Mol.Biol., 371, 2007
5CHQ
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BU of 5chq by Molmil
Dehaloperoxidase B in complex with substrate p-nitrophenol
分子名称: Dehaloperoxidase B, GLYCEROL, P-NITROPHENOL, ...
著者Carey, L, Ghiladi, R.
登録日2015-07-10
公開日2016-04-27
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Nonmicrobial Nitrophenol Degradation via Peroxygenase Activity of Dehaloperoxidase-Hemoglobin from Amphitrite ornata.
Biochemistry, 55, 2016
2OU0
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BU of 2ou0 by Molmil
1-methylpyrrole in complex with T4 Lysozyme L99A
分子名称: 1-METHYL-1H-PYRROLE, Lysozyme, PHOSPHATE ION
著者Graves, A.P, Shoichet, B.K.
登録日2007-02-09
公開日2007-08-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Predicting absolute ligand binding free energies to a simple model site.
J.Mol.Biol., 371, 2007
2PJA
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BU of 2pja by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B 3-{[(R)-1-((S)-2-Benzyloxycarbonylamino-3-phenyl-propionylamino)-2-methyl-propyl]-hydroxy-phosphinoyl}-2-(3-guanidino-phenyl)-propionic acid COMPLEX
分子名称: (2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(R)-[(1R)-1-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID, Carboxypeptidase B, ZINC ION
著者Adler, M, Whitlow, M.
登録日2007-04-15
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008

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