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1N2M
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BU of 1n2m by Molmil
The S53A Proenzyme Structure of Methanococcus jannaschii.
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Pyruvoyl-dependent arginine decarboxylase
著者Tolbert, W.D, Graham, D.E, White, R.H, Ealick, S.E.
登録日2002-10-23
公開日2003-03-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Pyruvoyl-Dependent Arginine Decarboxylase from Methanococcus jannaschii: Crystal Structures of the Self-Cleaved and S53A Proenzyme Forms
Structure, 11, 2003
1GZF
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BU of 1gzf by Molmil
Structure of the Clostridium botulinum C3 exoenzyme (wild-type) in complex with NAD
分子名称: 3-(AMINOCARBONYL)-1-[(3R,4S,5R)-3,4-DIHYDROXY-5-METHYLTETRAHYDRO-2-FURANYL]PYRIDINIUM, ADENOSINE-5'-DIPHOSPHATE, MONO-ADP-RIBOSYLTRANSFERASE C3, ...
著者Menetrey, J, Flatau, G, Stura, E.A, Charbonnier, J.B, Gas, F, Teulon, J.M, Le Du, M.H, Boquet, P, Menez, A.
登録日2002-05-21
公開日2002-08-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Nad Binding Induces Conformational Changes in Rho Adp-Ribosylating Clostridium Botulinum C3 Exoenzyme
J.Biol.Chem., 277, 2002
2WS9
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BU of 2ws9 by Molmil
Equine Rhinitis A Virus at Low pH
分子名称: P1
著者Fry, E.E, Tuthill, T.J, Harlos, K, Walter, T.S, Knowles, N.J, Gropelli, E, Rowlands, D.J, Stuart, D.I.
登録日2009-09-04
公開日2010-08-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Equine Rhinitis a Virus and its Low Ph Empty Particle: Clues Towards an Aphthovirus Entry Mechanism?
Plos Pathog., 5, 2009
6CIS
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BU of 6cis by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG047
分子名称: 1,2-ETHANEDIOL, 11-cyclopentyl-5-methyl-2-({4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-[(propan-2-yl)oxy]phenyl}amino)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ...
著者Xu, X, Blacklow, S.C.
登録日2018-02-25
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
8ALY
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BU of 8aly by Molmil
Cryo-EM structure of human tankyrase 2 SAM-PARP filament (G1032W mutant)
分子名称: Poly [ADP-ribose] polymerase tankyrase-2, ZINC ION
著者Mariotti, L, Inian, O, Desfosses, A, Beuron, F, Morris, E.P, Guettler, S.
登録日2022-08-01
公開日2022-11-16
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structural basis of tankyrase activation by polymerization.
Nature, 612, 2022
6CIY
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BU of 6ciy by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG069
分子名称: 1,2-ETHANEDIOL, 11-cyclobutyl-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ...
著者Xu, X, Blacklow, S.C.
登録日2018-02-25
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
2C46
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BU of 2c46 by Molmil
CRYSTAL STRUCTURE OF THE HUMAN RNA guanylyltransferase and 5'- phosphatase
分子名称: MRNA CAPPING ENZYME
著者Debreczeni, J, Johansson, C, Longman, E, Gileadi, O, SavitskySmee, P, Smee, C, Bunkoczi, G, Ugochukwu, E, von Delft, F, Sundstrom, M, Weigelt, J, Arrowsmith, C, Edwards, A, Knapp, S.
登録日2005-10-15
公開日2005-11-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Human RNA Guanylyltransferase and 5'-Phosphatase
To be Published
6CHO
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BU of 6cho by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-2-((1-(3-(4-methoxyphenoxy)phenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
分子名称: 2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION, ...
著者Mamo, M, Appleton, B.A.
登録日2018-02-22
公開日2018-04-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
6TRE
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BU of 6tre by Molmil
Structure of the RBM3/collar region of the Salmonella flagella MS-ring protein FliF with 32-fold symmetry applied
分子名称: Flagellar M-ring protein
著者Johnson, S, Fong, Y.H, Deme, J.C, Furlong, E.J, Kuhlen, L, Lea, S.M.
登録日2019-12-18
公開日2020-03-18
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of the bacterial flagellar rotor MS-ring: a minimum inventory/maximum diversity system.
To Be Published
1H9K
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BU of 1h9k by Molmil
Two crystal structures of the cytoplasmic molybdate-binding protein ModG suggest a novel cooperative binding mechanism and provide insights into ligand-binding specificity. Phosphate-grown form with tungstate and phosphate bound
分子名称: MOLYBDENUM-BINDING-PROTEIN, PHOSPHATE ION, TUNGSTATE(VI)ION
著者Delarbre, L, Stevenson, C.E.M, White, D.J, Mitchenall, L.A, Pau, R.N, Lawson, D.M.
登録日2001-03-13
公開日2001-05-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Two Crystal Structures of the Cytoplasmic Molybdate-Binding Protein Modg Suggest a Novel Cooperative Binding Mechanism and Provide Insights Into Ligand-Binding Specificity
J.Mol.Biol., 308, 2001
6CKW
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BU of 6ckw by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-((7-(((S)-2-amino-2-(2-methoxyphenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-3-(3-chlorophenyl)propanenitrile
分子名称: (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ...
著者Mamo, M, Appleton, B.A.
登録日2018-03-01
公開日2018-04-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
1GQP
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BU of 1gqp by Molmil
APC10/DOC1 SUBUNIT OF S. cerevisiae
分子名称: BROMIDE ION, DOC1/APC10
著者Au, S.W.N, Leng, X, Harper, J.W.A.D.E, Barford, D.
登録日2001-11-28
公開日2002-03-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Implications for the Ubiquitination Reaction of the Anaphase-Promoting Complex from the Crystal Structure of the Doc1/Apc10 Subunit.
J.Mol.Biol., 316, 2002
6NX9
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BU of 6nx9 by Molmil
ECAII(D90T,K162T) MUTANT IN COMPLEX WITH CITRATE AT PH 7
分子名称: ACETIC ACID, GLYCEROL, IMIDAZOLE, ...
著者Lubkowski, J, Wlodawer, A.
登録日2019-02-08
公開日2019-08-07
最終更新日2020-08-19
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
1H1Y
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BU of 1h1y by Molmil
The structure of the cytosolic D-ribulose-5-phosphate 3-epimerase from rice complexed with sulfate
分子名称: D-RIBULOSE-5-PHOSPHATE 3-EPIMERASE, SULFATE ION
著者Jelakovic, S, Schulz, G.E.
登録日2002-07-25
公開日2003-01-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structure and Catalytic Mechanism of the Cytosolic D-Ribulose-5-Phosphate 3-Epimerase from Rice
J.Mol.Biol., 326, 2003
5NWX
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BU of 5nwx by Molmil
Insight into the molecular recognition mechanism of the coactivator NCoA1 by STAT6
分子名称: Nuclear receptor coactivator 1, Signal transducer and activator of transcription 6
著者Russo, L, Giller, K, Pfitzner, E, Griesinger, C, Becker, S.
登録日2017-05-08
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Insight into the molecular recognition mechanism of the coactivator NCoA1 by STAT6.
Sci Rep, 7, 2017
5NRY
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BU of 5nry by Molmil
Cys-Gly dipeptidase GliJ in complex with Fe3+
分子名称: CHLORIDE ION, Dipeptidase gliJ, FE (III) ION
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
2C39
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BU of 2c39 by Molmil
RNase PH core of the archaeal exosome in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, PROBABLE EXOSOME COMPLEX EXONUCLEASE 1, PROBABLE EXOSOME COMPLEX EXONUCLEASE 2
著者Lorentzen, E, Conti, E.
登録日2005-10-05
公開日2005-11-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural Basis of 3' End RNA Recognition and Exoribonucleolytic Cleavage by an Exosome Rnase Ph Core.
Mol.Cell, 20, 2005
1GSI
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BU of 1gsi by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE (TMP)
分子名称: ACETATE ION, MAGNESIUM ION, SULFATE ION, ...
著者Ursby, T, Weik, M, Fioravanti, E, Delarue, M, Goeldner, M, Bourgeois, D.
登録日2002-01-03
公開日2002-03-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Cryophotolysis of Caged Compounds: A Technique for Trapping Intermediate States in Protein Crystals
Acta Crystallogr.,Sect.D, 58, 2002
6JXT
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BU of 6jxt by Molmil
Crystal structure of EGFR 696-1022 WT in complex with AZD9291 prepared by cocrystallization
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
著者Yun, C.H, Zhu, S.J, Yan, X.E.
登録日2019-04-25
公開日2020-04-29
最終更新日2020-11-04
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
6T2N
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BU of 6t2n by Molmil
Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown
分子名称: CALCIUM ION, Glycoside hydrolase family 16 protein
著者Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N.
登録日2019-10-09
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown.
Nat Commun, 11, 2020
5NTN
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BU of 5ntn by Molmil
Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds
分子名称: (5R,10S,13R,14R,17R)-17-((R,E)-7-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,7(4H)-dione, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1
著者Kallen, J.
登録日2017-04-28
公開日2017-06-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural States of ROR gamma t: X-ray Elucidation of Molecular Mechanisms and Binding Interactions for Natural and Synthetic Compounds.
ChemMedChem, 12, 2017
6TH7
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BU of 6th7 by Molmil
Structure of porcine pancreatic elastase in complex with tutuilamide
分子名称: CALCIUM ION, Chymotrypsin-like elastase family member 1, Tutuilamide
著者Koehnke, J, Sikandar, A.
登録日2019-11-18
公開日2020-03-04
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Tutuilamides A-C: Vinyl-Chloride-Containing Cyclodepsipeptides from Marine Cyanobacteria with Potent Elastase Inhibitory Properties.
Acs Chem.Biol., 15, 2020
6THK
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Structural mechanism of pyocin S5 import into Pseudomonas aeruginosa
分子名称: GLYCEROL, Pyocin S5, ZINC ION
著者Behrens, H.M, Kleanthous, C, Lowe, E.D.
登録日2019-11-20
公開日2020-03-04
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Pyocin S5 Import into Pseudomonas aeruginosa Reveals a Generic Mode of Bacteriocin Transport.
Mbio, 11, 2020
2OD3
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Human thrombin chimera with human residues 184a, 186, 186a, 186b, 186c and 222 replaced by murine thrombin equivalents.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Thrombin heavy chain, ...
著者Marino, F, Chen, Z, Ergenekan, C.E, Bush, L.A, Mathews, F.S, Di Cera, E.
登録日2006-12-21
公開日2007-04-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of na+ activation mimicry in murine thrombin.
J.Biol.Chem., 282, 2007
1H1Z
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The structure of the cytosolic D-ribulose-5-phosphate 3-epimerase from rice complexed with sulfate and zinc
分子名称: D-RIBULOSE-5-PHOSPHATE 3-EPIMERASE, SULFATE ION, ZINC ION
著者Jelakovic, S, Schulz, G.E.
登録日2002-07-25
公開日2003-01-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure and Catalytic Mechanism of the Cytosolic D-Ribulose-5-Phosphate 3-Epimerase from Rice
J.Mol.Biol., 326, 2003

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