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4CMV
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BU of 4cmv by Molmil
Crystal structure of Rv3378c
分子名称: CITRIC ACID, DITERPENE SYNTHASE, MERCURY (II) ION
著者Layre, E, Lee, H.J, Young, D.C, Martinot, A.J, Buter, J, Minnaard, A.J, Annand, J.W, Fortune, S.M, Snider, B.B, Matsunaga, I, Rubin, E.J, Alber, T, Moody, D.B.
登録日2014-01-18
公開日2014-02-19
最終更新日2014-03-12
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C.
Proc.Natl.Acad.Sci.USA, 111, 2014
3HIJ
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BU of 3hij by Molmil
Crystal structure of dihydrodipicolinate synthase from Bacillus anthracis in complex with its substrate, pyruvate
分子名称: Dihydrodipicolinate synthase, GLYCEROL, SODIUM ION
著者Voss, J.E, Scally, S.W, Dobson, R.C.J, Perugini, M.A.
登録日2009-05-20
公開日2009-11-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Substrate-mediated Stabilization of a Tetrameric Drug Target Reveals Achilles Heel in Anthrax.
J.Biol.Chem., 285, 2010
8S9E
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BU of 8s9e by Molmil
Solution structure of jarastatin (rJast), a disintegrin from Bothrops jararaca
分子名称: Disintegrin jarastatin
著者Vasconcelos, A.A, Estrada, J.E.C, Zingali, R.B, Almeida, F.C.L.
登録日2023-03-28
公開日2023-11-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Toward the mechanism of jarastatin (rJast) inhibition of the integrin alpha V beta 3.
Int.J.Biol.Macromol., 255, 2024
6EBO
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BU of 6ebo by Molmil
Crystal Structure of the Class Ie Ribonucleotide Reductase Beta Subunit from Aerococcus urinae in Unactivated Form
分子名称: CALCIUM ION, GLYCEROL, Ribonucleoside-diphosphate reductase, ...
著者Palowitch, G.M, Alapati, R.B, Boal, A.K.
登録日2018-08-06
公開日2018-09-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Metal-free class Ie ribonucleotide reductase from pathogens initiates catalysis with a tyrosine-derived dihydroxyphenylalanine radical.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2Z85
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BU of 2z85 by Molmil
Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: M37F Unliganded
分子名称: Globin-1, PROTOPORPHYRIN IX CONTAINING FE
著者Knapp, J.E, Royer Jr, W.E, Nienhaus, K, Palladino, P, Nienhaus, G.U.
登録日2007-09-02
公開日2007-11-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Ligand Migration and Binding in the Dimeric Hemoglobin of Scapharca inaequivalvis
Biochemistry, 46, 2007
1IPP
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BU of 1ipp by Molmil
HOMING ENDONUCLEASE/DNA COMPLEX
分子名称: CADMIUM ION, DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), INTRON-ENCODED ENDONUCLEASE I-PPOI, ...
著者Flick, K.E, Jurica, M.S, Monnat Jr, R.J, Stoddard, B.L.
登録日1998-03-19
公開日1998-09-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献DNA binding and cleavage by the nuclear intron-encoded homing endonuclease I-PpoI.
Nature, 394, 1998
6EQO
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BU of 6eqo by Molmil
Tri-functional propionyl-CoA synthase of Erythrobacter sp. NAP1 with bound NADP+ and phosphomethylphosphonic acid adenylate ester
分子名称: Acetyl-coenzyme A synthetase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Zarzycki, J, Bernhardsgruetter, I, Voegeli, B, Wagner, T, Engilberge, S, Girard, E, Shima, S, Erb, T.J.
登録日2017-10-13
公開日2018-10-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The multicatalytic compartment of propionyl-CoA synthase sequesters a toxic metabolite.
Nat. Chem. Biol., 14, 2018
2ML1
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BU of 2ml1 by Molmil
Solution Structure of AlgE6R1 subunit from the Azotobacter vinelandii Mannuronan C5-epimerase
分子名称: CALCIUM ION, Poly(beta-D-mannuronate) C5 epimerase 6
著者Buchinger, E, Wimmer, R, Aachmann, F.L.
登録日2014-02-18
公開日2014-10-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Functional Characterization of the R-modules in Alginate C-5 Epimerases AlgE4 and AlgE6 from Azotobacter vinelandii
J.Biol.Chem., 289, 2014
4CV2
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BU of 4cv2 by Molmil
Crystal structure of E. coli FabI in complex with NADH and CG400549
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]
著者Tareilus, M, Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C.
登録日2014-03-22
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
4HL6
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BU of 4hl6 by Molmil
YfdE from Escherichia coli
分子名称: Uncharacterized protein YfdE
著者Mullins, E.A, Sullivan, K.L, Nyffeler, K.E, Kappock, T.J.
登録日2012-10-16
公開日2013-05-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Function and X-Ray crystal structure of Escherichia coli YfdE.
Plos One, 8, 2013
7NIJ
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BU of 7nij by Molmil
SARS-CoV-2 main protease (Mpro) in a novel conformational state.
分子名称: 3C-like proteinase nsp5
著者Battistutta, R, Fornasier, E, Giachin, G.
登録日2021-02-12
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献A new inactive conformation of SARS-CoV-2 main protease.
Acta Crystallogr D Struct Biol, 78, 2022
7NBP
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BU of 7nbp by Molmil
Solution structure of DNA duplex containing a 7,8-dihydro-8-oxo-1,N6-ethenoadenine base modification that induces exclusively A->T transversions in Escherichia coli
分子名称: DNA (5'-D(*CP*AP*TP*GP*AP*GP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*CP*(EDA)P*CP*AP*TP*G)-3')
著者Aralov, A.V, Gubina, N, Cabrero, C, Tsvetkov, V.B, Turaev, A.V, Fedeles, B.I, Croy, R.G, Isaakova, E.A, Melnik, D, Dukova, S, Khrulev, A.A, Varizhuk, A.M, Gonzalez, C, Zatsepin, T.S, Essigmann, J.M.
登録日2021-01-27
公開日2022-03-02
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献7,8-Dihydro-8-oxo-1,N6-ethenoadenine: an exclusively Hoogsteen-paired thymine mimic in DNA that induces A→T transversions in Escherichia coli.
Nucleic Acids Res., 50, 2022
3HNQ
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BU of 3hnq by Molmil
Crystal Structure of Virulence protein STM3117 from Salmonella typhimurium. Northeast Structural Genomics Consortium target id StR274
分子名称: Virulence protein STM3117
著者Seetharaman, J, Su, M, Sahdev, S, Janjua, H, Xiao, R, Ciccosanti, C, Foote, E.L, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2009-05-31
公開日2009-06-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Virulence protein STM3117 from Salmonella typhimurium. Northeast Structural Genomics Consortium target id StR274
To be Published
5AI3
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BU of 5ai3 by Molmil
X-ray structure of 113Cd-substituted Perdeuterated Pyrococcus furiosus rubredoxin to 1.02A resolution at 295K in a quartz capillary
分子名称: CADMIUM ION, RUBREDOXIN
著者Cuypers, M.G, Mitchell, E.P.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Macromolecular Structure Phasing by Neutron Anomalous Diffraction.
Sci.Rep., 6, 2016
2ZDO
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BU of 2zdo by Molmil
Crystal structure of IsdG-N7A in complex with hemin
分子名称: Heme-degrading monooxygenase isdG, PROTOPORPHYRIN IX CONTAINING FE
著者Lee, W.C, Reniere, M.L, Skaar, E.P, Murphy, M.E.P.
登録日2007-11-27
公開日2008-08-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ruffling of Metalloporphyrins Bound to IsdG and IsdI, Two Heme-degrading Enzymes in Staphylococcus aureus
J.Biol.Chem., 283, 2008
3MTH
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BU of 3mth by Molmil
X-RAY CRYSTALLOGRAPHIC STUDIES ON HEXAMERIC INSULINS IN THE PRESENCE OF HELIX-STABILIZING AGENTS, THIOCYANATE, METHYLPARABEN AND PHENOL
分子名称: 4-HYDROXY-BENZOIC ACID METHYL ESTER, CHLORIDE ION, METHYLPARABEN INSULIN, ...
著者Whittingham, J.L, Dodson, E.J, Moody, P.C.E, Dodson, G.G.
登録日1995-09-13
公開日1996-01-29
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray crystallographic studies on hexameric insulins in the presence of helix-stabilizing agents, thiocyanate, methylparaben, and phenol.
Biochemistry, 34, 1995
3HQY
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BU of 3hqy by Molmil
Discovery of novel inhibitors of PDE10A
分子名称: 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline, MAGNESIUM ION, SULFATE ION, ...
著者Pandit, J, Marr, E.S.
登録日2009-06-08
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia
J.Med.Chem., 52, 2009
6J27
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BU of 6j27 by Molmil
Crystal structure of the branched-chain polyamine synthase from Thermus thermophilus (Tth-BpsA) in complex with N4-aminopropylspermidine and 5'-methylthioadenosine
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
著者Mizohata, E, Toyoda, M, Fujita, J, Inoue, T.
登録日2018-12-31
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献The C-terminal flexible region of branched-chain polyamine synthase facilitates substrate specificity and catalysis.
Febs J., 286, 2019
1IIH
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BU of 1iih by Molmil
STRUCTURE OF TRYPANOSOMA BRUCEI BRUCEI TRIOSEPHOSPHATE ISOMERASE COMPLEXED WITH 3-PHOSPHOGLYCERATE
分子名称: 3-PHOSPHOGLYCERIC ACID, TRIOSEPHOSPHATE ISOMERASE
著者Noble, M.E, Wierenga, R.K, Lambeir, A.M, Opperdoes, F.R, Thunnissen, A.M, Kalk, K.H, Groendijk, H, Hol, W.G.J.
登録日2001-04-23
公開日2001-05-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The adaptability of the active site of trypanosomal triosephosphate isomerase as observed in the crystal structures of three different complexes.
Proteins, 10, 1991
4HNO
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BU of 4hno by Molmil
High resolution crystal structure of DNA Apurinic/apyrimidinic (AP) endonuclease IV Nfo from Thermatoga maritima
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ...
著者Shin, D.S, Hosfield, D.J, Arvai, A.S, Tsutakawa, S.E, Tainer, J.A.
登録日2012-10-20
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.9194 Å)
主引用文献Conserved Structural Chemistry for Incision Activity in Structurally Non-homologous Apurinic/Apyrimidinic Endonuclease APE1 and Endonuclease IV DNA Repair Enzymes.
J.Biol.Chem., 288, 2013
6EM3
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BU of 6em3 by Molmil
State A architectural model (Nsa1-TAP Flag-Ytm1) - Visualizing the assembly pathway of nucleolar pre-60S ribosomes
分子名称: 25S ribosomal RNA, 5.8S ribosomal RNA, 60S ribosomal protein L13-A, ...
著者Kater, L, Cheng, J, Barrio-Garcia, C, Hurt, E, Beckmann, R.
登録日2017-10-01
公開日2017-12-27
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Visualizing the Assembly Pathway of Nucleolar Pre-60S Ribosomes.
Cell, 171, 2017
1RAH
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BU of 1rah by Molmil
CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY
分子名称: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Kosman, R.P, Gouaux, J.E, Lipscomb, W.N.
登録日1992-08-14
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of CTP-ligated T state aspartate transcarbamoylase at 2.5 A resolution: implications for ATCase mutants and the mechanism of negative cooperativity.
Proteins, 15, 1993
8OWY
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BU of 8owy by Molmil
Crystal structure of METTL6 mutant 40-269 bound to SAH
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, tRNA N(3)-methylcytidine methyltransferase METTL6
著者Throll, P, Basu, S, Dolce, L.G, Kowalinski, E.
登録日2023-04-28
公開日2024-05-08
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis of tRNA recognition by the m 3 C RNA methyltransferase METTL6 in complex with SerRS seryl-tRNA synthetase.
Nat.Struct.Mol.Biol., 2024
3EFQ
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BU of 3efq by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-714
分子名称: 1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION
著者Cao, R, Gao, Y, Robinson, H, Oldfield, E.
登録日2008-09-09
公開日2009-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation.
J.Am.Chem.Soc., 131, 2009
3NWA
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BU of 3nwa by Molmil
Glycoprotein B from Herpes simplex virus type 1, W174R mutant, low-pH
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein B, MESO-ERYTHRITOL
著者Stampfer, S.D, Lou, H, Cohen, G.H, Eisenberg, R.J, Heldwein, E.E.
登録日2010-07-09
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2629 Å)
主引用文献Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1.
J.Virol., 84, 2010

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