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5QAP
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BU of 5qap by Molmil
OXA-48 IN COMPLEX WITH COMPOUND 21a
分子名称: 1,2-ETHANEDIOL, 3-(3-acetamidophenyl)benzoic acid, Beta-lactamase, ...
著者Lund, B.A, Leiros, H.K.S.
登録日2017-07-11
公開日2018-01-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
6D4I
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BU of 6d4i by Molmil
Crystal Structure of a Fc Fragment of Rhesus macaque (Macaca mulatta) IgG2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc fragment of IgG2
著者Gohain, N, Tolbert, W.D, Pazgier, M.
登録日2018-04-18
公開日2019-05-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses.
Mabs, 11, 2019
7OXV
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BU of 7oxv by Molmil
Crystal structure of depupylase Dop in the Dop-loop-inserted state
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Depupylase, ...
著者Cui, H.
登録日2021-06-23
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.394 Å)
主引用文献Structures of prokaryotic ubiquitin-like protein Pup in complex with depupylase Dop reveal the mechanism of catalytic phosphate formation.
Nat Commun, 12, 2021
7U6O
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BU of 7u6o by Molmil
Glutamine Synthetase Type III from Ostreococcus tauri
分子名称: Glutamine synthetase
著者Novikova, I.V, Powell, S.M, Evans, J.E.
登録日2022-03-04
公開日2023-03-08
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Eukaryotic Glutamine Synthetase Type III Assembles as a Hexamer and Lacks Ring-Ring Quaternary Contacts.
To Be Published
1XD5
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BU of 1xd5 by Molmil
Crystal structures of novel monomeric monocot mannose-binding lectins from Gastrodia elata
分子名称: SULFATE ION, antifungal protein GAFP-1
著者Liu, W, Yang, N, Wang, M, Huang, R.H, Hu, Z, Wang, D.C.
登録日2004-09-04
公開日2005-01-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Mechanism Governing the Quaternary Organization of Monocot Mannose-binding Lectin Revealed by the Novel Monomeric Structure of an Orchid Lectin
J.Biol.Chem., 280, 2005
7UAK
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BU of 7uak by Molmil
Structure of recombinantly assembled A53E alpha-synuclein fibrils
分子名称: Alpha-synuclein
著者Zhou, K, Zhou, H.
登録日2022-03-13
公開日2023-03-29
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Cryo-EM structure of amyloid fibril formed by alpha-synuclein hereditary A53E mutation reveals a distinct protofilament interface.
J.Biol.Chem., 299, 2023
7XJO
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BU of 7xjo by Molmil
Crystal structure of human MMP-2 catalytic domain in complex with inhibitor
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Kamitani, M, Mima, M, Takeuchi, T.
登録日2022-04-18
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 65, 2022
7XGJ
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BU of 7xgj by Molmil
Crystal structure of human MMP-2 catalytic domain in complex with inhibitor
分子名称: CALCIUM ION, GZS-ASN-ASP-ALA-LEU-IML-EOE-NH2, Matrix metalloproteinase-2, ...
著者Kamitani, M, Mima, M, Takeuchi, T.
登録日2022-04-05
公開日2022-06-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 65, 2022
1LF9
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BU of 1lf9 by Molmil
CRYSTAL STRUCTURE OF BACTERIAL GLUCOAMYLASE COMPLEXED WITH ACARBOSE
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, GLUCOAMYLASE, SULFATE ION
著者Aleshin, A.E, Feng, P.-H, Honzatko, R.B, Reilly, P.J.
登録日2002-04-10
公開日2003-02-25
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure and evolution of prokaryotic glucoamylase
J.Mol.Biol., 327, 2003
4CCL
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BU of 4ccl by Molmil
X-Ray structure of E. coli ycfD
分子名称: 50S RIBOSOMAL PROTEIN L16 ARGININE HYDROXYLASE, MANGANESE (II) ION, SULFATE ION
著者McDonough, M.A, Ho, C.H, Kershaw, N.J, Schofield, C.J.
登録日2013-10-23
公開日2014-04-30
最終更新日2020-06-03
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
4MO4
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BU of 4mo4 by Molmil
Crystal structure of AnmK bound to AMPPCP
分子名称: Anhydro-N-acetylmuramic acid kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Bacik, J.P, Mark, B.L.
登録日2013-09-11
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Conformational Itinerary of Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase during Its Catalytic Cycle.
J.Biol.Chem., 289, 2014
7OV7
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BU of 7ov7 by Molmil
The hybrid cage formed between Pizza6-S and Cu(II)-substituted trilacunary Keggin
分子名称: COPPER (II) ION, POTASSIUM ION, Pizza6-S, ...
著者Vandebroek, L, Noguchi, H, Anyushin, A, Van Meervelt, L, Voet, A.R.D, Parac-Vogt, T.N.
登録日2021-06-14
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Hierarchical Self-Assembly of a Supramolecular Protein-Metal Cage Encapsulating a Polyoxometalate Guest
Cryst.Growth Des., 2022
6DY7
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BU of 6dy7 by Molmil
WDR5 in complex with a WIN site inhibitor
分子名称: DIMETHYL SULFOXIDE, N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine, SULFATE ION, ...
著者Phan, J, Wang, F, Fesik, S.W.
登録日2018-07-01
公開日2019-03-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E1Z
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BU of 6e1z by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
4RMO
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BU of 4rmo by Molmil
Crystal Structure of the CptIN Type III Toxin-Antitoxin System from Eubacterium rectale
分子名称: CALCIUM ION, CptN Toxin, RNA (45-MER)
著者Rao, F, Voss, J.E, Short, F.L, Luisi, B.F.
登録日2014-10-21
公開日2015-09-30
最終更新日2015-11-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Co-evolution of quaternary organization and novel RNA tertiary interactions revealed in the crystal structure of a bacterial protein-RNA toxin-antitoxin system.
Nucleic Acids Res., 43, 2015
5HOG
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BU of 5hog by Molmil
Crystal structure of the carboxy-terminal domain of yeast Ctf4 bound to Dna2.
分子名称: DNA polymerase alpha-binding protein, Dna2p
著者Simon, A.C, Pellegrini, L.
登録日2016-01-19
公開日2016-06-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.092 Å)
主引用文献Ctf4 Is a Hub in the Eukaryotic Replisome that Links Multiple CIP-Box Proteins to the CMG Helicase.
Mol.Cell, 63, 2016
6E23
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BU of 6e23 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(3,4-dichlorophenyl)methyl]-3-(6-fluoro-2-methylpyridin-3-yl)-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
6E22
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BU of 6e22 by Molmil
Displacement of WDR5 from chromatin by a pharmacological WIN site inhibitor with picomolar affinity
分子名称: 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide, SULFATE ION, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-07-10
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
4AGU
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BU of 4agu by Molmil
CRYSTAL STRUCTURE OF THE HUMAN CDKL1 KINASE DOMAIN
分子名称: CYCLIN-DEPENDENT KINASE-LIKE 1, N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide
著者Canning, P, Sharpe, T.D, Allerston, C, Savitsky, P, Pike, A.C.W, Muniz, J.R.C, Chaikuad, A, Kuo, K, Burgess-Brown, N, Ayinampudi, V, Zhang, Y, Thangaratnarajah, C, Ugochukwu, E, Vollmar, M, Krojer, T, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Knapp, S, Bullock, A.
登録日2012-01-31
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
6CDM
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BU of 6cdm by Molmil
Structure of vaccine-elicited HIV-1 neutralizing antibody vFP7.04 in complex with HIV-1 fusion peptide residue 512-519
分子名称: HIV fusion peptide (512-519), vFP7.04 heavy chain, vFP7.04 light chain
著者Xu, K, Liu, K, Kwong, P.D.
登録日2018-02-08
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.408 Å)
主引用文献Epitope-based vaccine design yields fusion peptide-directed antibodies that neutralize diverse strains of HIV-1.
Nat. Med., 24, 2018
5KOX
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BU of 5kox by Molmil
Structure of rifampicin monooxygenase complexed with rifampicin
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Pentachlorophenol 4-monooxygenase, RIFAMPICIN
著者Tanner, J.J, Liu, L.-K.
登録日2016-07-01
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Structure of the Antibiotic Deactivating, N-hydroxylating Rifampicin Monooxygenase.
J.Biol.Chem., 291, 2016
5KUM
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BU of 5kum by Molmil
Crystal Structure of Inward Rectifier Kir2.2 K62W Mutant In Complex with PIP2
分子名称: ATP-sensitive inward rectifier potassium channel 12, DECYL-BETA-D-MALTOPYRANOSIDE, POTASSIUM ION, ...
著者Lee, S.-J, Ren, F, Heyman, S, Yuan, P, Nichols, C.G.
登録日2016-07-13
公開日2016-08-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of control of inward rectifier Kir2 channel gating by bulk anionic phospholipids.
J.Gen.Physiol., 148, 2016
2VCO
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BU of 2vco by Molmil
Crystal structure of the fimbrial adhesin FimH in complex with its high-mannose epitope
分子名称: NICKEL (II) ION, PROTEIN FIMH, SULFATE ION, ...
著者Wellens, A, Garofalo, C, Nguyen, H, Wyns, L, De Greve, H, Hultgren, S.J, Bouckaert, J.
登録日2007-09-26
公開日2008-05-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Intervening with Urinary Tract Infections Using Anti-Adhesives Based on the Crystal Structure of the Fimh-Oligomannose-3 Complex.
Plos One, 3, 2008
6SKX
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BU of 6skx by Molmil
Structure of Reductive Aminase from Neosartorya fumigata
分子名称: Oxidoreductase, putative
著者Sharma, M, Mangas-Sanchez, J, Turner, N.J, Grogan, G.
登録日2019-08-16
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Asymmetric synthesis of primary amines catalyzed by thermotolerant fungal reductive aminases.
Chem Sci, 11, 2020
5IAB
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BU of 5iab by Molmil
Caspase 3 V266D
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASK, Caspase-3
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-21
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016

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