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7BDU
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BU of 7bdu by Molmil
Crystal structure of a Hsp47-collagen peptide complex
分子名称: 21er collagen model peptide, Collagen-binding protein
著者Abraham, E.T, Gebauer, J.M, Baumann, U.
登録日2020-12-22
公開日2021-11-10
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Collagen's primary structure determines collagen:HSP47 complex stoichiometry.
J.Biol.Chem., 297, 2021
2B6A
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BU of 2b6a by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with THR-50
分子名称: 1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-4-METHYL-1H-BENZIMIDAZOLE, Reverse transcriptase p51 subunit, Reverse transcriptase p66 subunit
著者Morningstar, M.L, Roth, T, Smith, M.K, Zajac, M, Watson, K, Buckheit, R.W, Das, K, Zhang, W, Arnold, E, Michejda, C.J.
登録日2005-09-30
公開日2005-11-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of HIV-1 reverse transcriptase (RT) in complex with THR-50
TO BE PUBLISHED
2B76
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BU of 2b76 by Molmil
E. coli Quinol fumarate reductase FrdA E49Q mutation
分子名称: CITRATE ANION, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
著者Maklashina, E, Iverson, T.M, Sher, Y, Kotlyar, V, Mirza, O, Andrell, J, Hudson, J.M, Armstrong, F.A, Cecchini, G.
登録日2005-10-03
公開日2006-02-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Fumarate Reductase and Succinate Oxidase Activity of Escherichia coli Complex II Homologs Are Perturbed Differently by Mutation of the Flavin Binding Domain
J.Biol.Chem., 281, 2006
2B0E
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BU of 2b0e by Molmil
EcoRV Restriction Endonuclease/GAAUTC/Ca2+
分子名称: 5'-D(*AP*AP*AP*GP*AP*AP*(DU)P*TP*CP*TP*T)-3', CALCIUM ION, Type II restriction enzyme EcoRV
著者Hiller, D.A, Rodriguez, A.M, Perona, J.J.
登録日2005-09-13
公開日2005-09-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Non-cognate Enzyme-DNA Complex: Structural and Kinetic Analysis of EcoRV Endonuclease Bound to the EcoRI Recognition Site GAATTC
J.Mol.Biol., 354, 2005
6N65
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BU of 6n65 by Molmil
KRAS G-quadruplex G16T mutant.
分子名称: KRAS G-quadruplex G16T mutant, POTASSIUM ION
著者Schmidberger, J.W, Ou, A, Smith, N.M, Iyer, K.S, Bond, C.S.
登録日2018-11-25
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High resolution crystal structure of a KRAS promoter G-quadruplex reveals a dimer with extensive poly-A pi-stacking interactions for small-molecule recognition.
Nucleic Acids Res., 48, 2020
7BHE
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BU of 7bhe by Molmil
DARPin_D5/Her3 domain 4 complex, monoclinic crystals
分子名称: ACETATE ION, DARPin_D5, GLYCEROL, ...
著者Mittl, P.R.E, Radom, F, Pluckthun, A.
登録日2021-01-11
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.297 Å)
主引用文献Crystal structures of HER3 extracellular domain 4 in complex with the designed ankyrin-repeat protein D5.
Acta Crystallogr.,Sect.F, 77, 2021
2B3Y
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BU of 2b3y by Molmil
Structure of a monoclinic crystal form of human cytosolic aconitase (IRP1)
分子名称: ACETATE ION, FORMIC ACID, GLYCEROL, ...
著者Dupuy, J, Fontecilla-Camps, J.C, Volbeda, A.
登録日2005-09-22
公開日2006-01-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of human iron regulatory protein 1 as cytosolic aconitase
Structure, 14, 2006
2AG3
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Heterocyclic Peptide Backbone Modification in Gcn4-pLI Based Coiled Coils: Substitution of the K(15)-L(16) amide with a triazole
分子名称: GCN4-pLI
著者Horne, W.S, Ghadiri, M.R.
登録日2005-07-26
公開日2006-08-08
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Copper-Catalyzed Azide-Alkyne Cycloaddition as a Non-native Ligation Strategy toward Backbone-Modified Peptides
To be Published
2AGL
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BU of 2agl by Molmil
Crystal structure of the phenylhydrazine adduct of aromatic amine dehydrogenase from Alcaligenes faecalis
分子名称: 1-PHENYLHYDRAZINE, Aromatic amine dehydrogenase
著者Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D.
登録日2005-07-27
公開日2006-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
2AGY
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BU of 2agy by Molmil
Crystal structure of the Schiff base intermediate in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with tryptamine. Monoclinic form
分子名称: 2-(1H-INDOL-3-YL)ETHANIMINE, Aromatic amine dehydrogenase
著者Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D.
登録日2005-07-27
公開日2006-04-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic description of an enzyme reaction dominated by proton tunneling
Science, 312, 2006
6NRG
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BU of 6nrg by Molmil
Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT57
分子名称: 2-{[3-fluoro-4-(1H-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ...
著者Langelier, M.F, Pascal, J.M.
登録日2019-01-23
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
2AI8
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BU of 2ai8 by Molmil
E.coli Polypeptide Deformylase complexed with SB-485343
分子名称: NICKEL (II) ION, Peptide deformylase, [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL
著者Smith, K.J, Petit, C.M, Aubart, K, Smyth, M, McManus, E, Jones, J, Fosberry, A, Lewis, C, Lonetto, M, Christensen, S.B.
登録日2005-07-29
公開日2005-09-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Variation and inhibitor binding in polypeptide deformylase from four different bacterial species.
Protein Sci., 12, 2003
6NS0
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BU of 6ns0 by Molmil
Crystal Structure of Lysyl-tRNA Synthetase from Chlamydia trachomatis complexed with L-lysine and Cladosporin
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-01-24
公開日2019-02-06
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 Lysyl-tRNA Synthetase from Chlamydia trachomatis with complexed with L-lysine and Cladosporin
to be published
7BDN
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BU of 7bdn by Molmil
Structure of the Streptomyces coelicolor small laccase - cubic crystal form
分子名称: COPPER (II) ION, Putative copper oxidase
著者Zovo, K, Majumdar, S, Lukk, T.
登録日2020-12-22
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Substitution of the Methionine Axial Ligand of the T1 Copper for the Fungal-like Phenylalanine Ligand (M298F) Causes Local Structural Perturbations that Lead to Thermal Instability and Reduced Catalytic Efficiency of the Small Laccase from Streptomyces coelicolor A3(2).
Acs Omega, 7, 2022
6NFY
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BU of 6nfy by Molmil
Crystal structure of nonphosphorylated, HPK1 kinase domain in complex with sunitinib in the inactive state.
分子名称: Mitogen-activated protein kinase kinase kinase kinase 1, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide
著者Johnson, E, McTigue, M, Cronin, C.N.
登録日2018-12-21
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation.
J.Biol.Chem., 294, 2019
6NRF
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Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT103
分子名称: 2-({4-[4-(1H-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide, CHLORIDE ION, CITRIC ACID, ...
著者Langelier, M.F, Pascal, J.M.
登録日2019-01-23
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
6ZGO
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BU of 6zgo by Molmil
Thrombin in complex with D-Phe-Pro-2-chlorofuran derivative (13l)
分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2020-06-19
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Thrombin in complex with D-Phe-Pro-2-chlorofuran derivative (13l)
To be published
6ZBY
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Cryo-EM structure of the nitrilase from Pseudomonas fluorescens EBC191 at 3.3 Angstroms
分子名称: NitA
著者Eppinger, E, Stolz, A, Sewell, B.T.
登録日2020-06-09
公開日2021-06-30
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structure of the nitrilase from Pseudomonas fluorescens EBC191 at 3.3 Angstroms
To Be Published
6ZHM
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BU of 6zhm by Molmil
Crystal Structure of Staphylococcus aureus RsgA bound to GDP.
分子名称: 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, Small ribosomal subunit biogenesis GTPase RsgA, ...
著者Bennison, D.J, Rafferty, J.B, Corrigan, R.M.
登録日2020-06-23
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Stringent Response Inhibits 70S Ribosome Formation in Staphylococcus aureus by Impeding GTPase-Ribosome Interactions.
Mbio, 12, 2021
6NLL
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1.80 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 14)
分子名称: 4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ...
著者Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M.
登録日2019-01-08
公開日2019-05-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
6ZHL
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BU of 6zhl by Molmil
Crystal Structure of Staphylococcus aureus RsgA bound to ppGpp.
分子名称: 1,2-ETHANEDIOL, GUANOSINE-5',3'-TETRAPHOSPHATE, Small ribosomal subunit biogenesis GTPase RsgA, ...
著者Bennison, D.J, Rafferty, J.B, Corrigan, R.M.
登録日2020-06-23
公開日2021-06-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The Stringent Response Inhibits 70S Ribosome Formation in Staphylococcus aureus by Impeding GTPase-Ribosome Interactions.
Mbio, 12, 2021
6ZJO
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BU of 6zjo by Molmil
Crystal Structure of Staphylococcus aureus RsgA.
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, Small ribosomal subunit biogenesis GTPase RsgA, ...
著者Bennison, D.J, Rafferty, J.B, Corrigan, R.M.
登録日2020-06-29
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The Stringent Response Inhibits 70S Ribosome Formation in Staphylococcus aureus by Impeding GTPase-Ribosome Interactions.
Mbio, 12, 2021
6NWG
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 3a
分子名称: ATP-dependent dethiobiotin synthetase BioD, [(1R,2R)-2-(2-methoxybenzene-1-carbonyl)cyclopentyl]propanedioic acid
著者Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B.
登録日2019-02-06
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.939 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 3a
To Be Published
6NOW
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BU of 6now by Molmil
Human Mitochondrial Alanyl-tRNA Synthetase C-Ala domain
分子名称: Alanine--tRNA ligase, mitochondrial
著者Kuhle, B, Schimmel, P.
登録日2019-01-16
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (4.099 Å)
主引用文献Relaxed sequence constraints favor mutational freedom in idiosyncratic metazoan mitochondrial tRNAs.
Nat Commun, 11, 2020
2EID
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Galactose Oxidase W290G mutant
分子名称: COPPER (II) ION, Galactose oxidase, SODIUM ION
著者Phillips, S.E, McPherson, M.J, Knowles, P.F, Akyumani, N, Firbank, S.J, Tamber, S.
登録日2007-03-12
公開日2007-04-24
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Stacking Tryptophan of Galactose Oxidase: A Second-Coordination Sphere Residue that Has Profound Effects on Tyrosyl Radical Behavior and Enzyme Catalysis
Biochemistry, 46, 2007

224004

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