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6PHN
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Crystal structure of glucagon analog composed of D-amino acids with mono-stereoinversion at position 23 (L-Val23) in space group I41 at 1.33 A resolution
分子名称: D-glucagon L-Val23, SODIUM ION
著者Mroz, P.A, Gonzalez-Gutierrez, G, DiMarchi, R.D.
登録日2019-06-25
公開日2020-07-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献High resolution X-ray structure of glucagon and selected stereo-inversed analogs in novel crystallographic packing arrangement.
To Be Published
5F4Q
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Crystal structure of the human egg surface protein Juno
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Aydin, H, Sultana, A, Lee, J.E.
登録日2015-12-03
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular architecture of the human sperm IZUMO1 and egg JUNO fertilization complex.
Nature, 534, 2016
7PT5
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Crystal structure of the CH domain of human CEP44
分子名称: Centrosomal protein of 44 kDa
著者Rosa e Silva, I, van Breugel, M.
登録日2021-09-26
公開日2022-04-06
最終更新日2022-04-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural validation and assessment of AlphaFold2 predictions for centrosomal and centriolar proteins and their complexes.
Commun Biol, 5, 2022
5U5K
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Crystal structure of EED in complex with 3-(3-methoxybenzyl)piperidine hydrochloride
分子名称: (3R)-3-[(3-methoxyphenyl)methyl]piperidine, FORMIC ACID, Polycomb protein EED
著者Bussiere, D, Shu, W.
登録日2016-12-06
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
7KPH
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SARS-CoV-2 Main Protease in mature form
分子名称: 3C-like proteinase
著者Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S.
登録日2020-11-11
公開日2020-11-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
6JDO
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Crystal structure of N-acetyl mannosmaine kinase with AMP-PNP from Pasteurella multocida
分子名称: CALCIUM ION, N-acetylmannosamine kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Thanuja, G, Ramaswamy, S.
登録日2019-02-02
公開日2020-02-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Structure and Function of N‐Acetylmannosamine Kinases from Pathogenic Bacteria.
Acs Omega, 5, 2020
6AW0
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Crystal structure of CEACAM3 L44Q
分子名称: CHLORIDE ION, Carcinoembryonic antigen-related cell adhesion molecule 3, GLYCEROL, ...
著者Bonsor, D.A, Sundberg, E.J.
登録日2017-09-05
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献TheHelicobacter pyloriadhesin protein HopQ exploits the dimer interface of human CEACAMs to facilitate translocation of the oncoprotein CagA.
EMBO J., 37, 2018
7KJD
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F96M epi-isozizaene synthase: complex with 3 Mg2+ and risedronate
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, MAGNESIUM ION, SULFATE ION, ...
著者Ronnebaum, T.A, Gardner, S.M, Christianson, D.W.
登録日2020-10-26
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
8R5U
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VIM-2 metallo-beta-lactamase in complex with benzebisheterocycle compound 14
分子名称: Beta-lactamase VIM-2, FORMIC ACID, ZINC ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2023-11-17
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
J.Med.Chem., 67, 2024
6PIA
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Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide
分子名称: 1,2-ETHANEDIOL, 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide, Acetylpolyamine amidohydrolase, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-06-26
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
8QK5
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Structure of K. pneumoniae LpxH in complex with EBL-3647
分子名称: 5-[[3-(aminomethyl)azetidin-1-yl]methyl]-N-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide, MANGANESE (II) ION, UDP-2,3-diacylglucosamine hydrolase
著者Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L.
登録日2023-09-14
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Antibiotic class with potent in vivo activity targeting lipopolysaccharide synthesis in Gram-negative bacteria.
Proc.Natl.Acad.Sci.USA, 121, 2024
6AW7
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2.15A resolution structure of SAH bound catechol O-methyltransferase (COMT) from Nannospalax galili
分子名称: CALCIUM ION, Catechol O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J.
登録日2017-09-05
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
7KKQ
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Structure of the catalytic domain of tankyrase 1 in complex with veliparib
分子名称: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, Poly [ADP-ribose] polymerase, ZINC ION
著者Gajiwala, K.S, Ryan, K.
登録日2020-10-27
公開日2021-01-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1.
J.Biol.Chem., 296, 2021
8RHI
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Lytic Transglycosylase MltD of Pseudomonas aeruginosa in a ternary complex bound to Bulgecin A and chito-tetraose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, ...
著者Miguel-Ruano, V, Hermoso, J.A.
登録日2023-12-15
公開日2024-04-17
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural characterization of lytic transglycosylase MltD of Pseudomonas aeruginosa, a target for the natural product bulgecin A.
Int.J.Biol.Macromol., 267, 2024
8Q9R
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Crystal structure of MADS-box/MEF2D N-terminal domain bound to dsDNA and HDAC9 deacetylase binding motif
分子名称: Histone deacetylase 9 (HDAC9) binding motif peptide: EVKQKLQEFLLSKS, MADS box dsDNA: AACTATTTATAAGA, MADS box dsDNA: TCTTATAAATAGT, ...
著者Chinellato, M, Carli, A, Perin, S, Mazzoccato, Y, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L.
登録日2023-08-20
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
6PJ7
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Time-resolved structural snapshot of proteolysis by GlpG inside the membrane
分子名称: Peptide aldehyde inhibitor, Rhomboid protease GlpG
著者Urban, S, Cho, S.
登録日2019-06-28
公開日2019-10-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ten catalytic snapshots of rhomboid intramembrane proteolysis from gate opening to peptide release.
Nat.Struct.Mol.Biol., 26, 2019
6F0R
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GLIC mutant E82Q
分子名称: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
著者Hu, H.D, Delarue, M.
登録日2017-11-20
公開日2018-01-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
6PJV
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Structure of Human Sonic Hedgehog in complex with Zinc and Magnesium
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Bonn-Breach, R.B, Jenkins, J.L, Wedekind, J.E.
登録日2019-06-28
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structure of Sonic Hedgehog protein in complex with zinc(II) and magnesium(II) reveals ion-coordination plasticity relevant to peptide drug design.
Acta Crystallogr D Struct Biol, 75, 2019
8RCW
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Crystal structure of the Mycobacterium tuberculosis regulator VirS (N-terminal fragment 4-208) in complex with the lead compound SMARt751
分子名称: 4,4,4-tris(fluoranyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]butan-1-one, HTH-type transcriptional regulator VirS
著者Grosse, C, Sigoillot, M, Megalizzi, V, Tanina, A, Willand, N, Baulard, A.R, Wintjens, R.
登録日2023-12-07
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.692 Å)
主引用文献Crystal structure of the Mycobacterium tuberculosis VirS regulator reveals its interaction with the lead compound SMARt751.
J.Struct.Biol., 216, 2024
6B8F
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Contracted Human Heavy-Chain Ferritin Crystal-Hydrogel Hybrid
分子名称: CALCIUM ION, FE (III) ION, Ferritin heavy chain
著者Zhang, L, Bailey, J.B, Subramanian, R, Tezcan, F.A.
登録日2017-10-07
公開日2018-05-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Hyperexpandable, self-healing macromolecular crystals with integrated polymer networks.
Nature, 557, 2018
7ZRQ
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1.68 Angstrom crystal structure of Ca/CaM-E140G:CaMKIIdelta peptide complex
分子名称: CALCIUM ION, Calcium/calmodulin-dependent protein kinase type II subunit delta, Calmodulin-1, ...
著者Helassa, N, Antonyuk, S.
登録日2022-05-04
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Calmodulin variant E140G associated with long QT syndrome impairs CaMKII delta autophosphorylation and L-type calcium channel inactivation.
J.Biol.Chem., 299, 2022
7ZZ9
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Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative
分子名称: 3-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-azanylethyl)amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3-oxidanylidene-propanoic acid, CITRIC ACID, NAD kinase 1
著者Gelin, M, Labesse, G.
登録日2022-05-25
公開日2023-01-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria.
Eur.J.Med.Chem., 246, 2023
6F5C
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Structure of h. salinarum RosR (vng0258) grown from NaCl
分子名称: CHLORIDE ION, HALOPHILIC WINGED-HELIX-TURN-HELIX DNA BINDING PROTEIN, SULFATE ION
著者Shaanan, B, Kutnowski, N, Shmuely, H.
登録日2017-12-01
公開日2018-08-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The 3-D structure of VNG0258H/RosR - A haloarchaeal DNA-binding protein in its ionic shell.
J. Struct. Biol., 204, 2018
7PTB
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Crystal structure of the SPD-2 domain of human CEP192
分子名称: Centrosomal protein of 192 kDa, NITRATE ION
著者Rosa e Silva, I, van Breugel, M.
登録日2021-09-26
公開日2022-04-06
最終更新日2022-04-20
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural validation and assessment of AlphaFold2 predictions for centrosomal and centriolar proteins and their complexes.
Commun Biol, 5, 2022
7KWX
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Spermidine N-acetyltransferase SpeG N152L mutant from Vibrio cholerae
分子名称: Spermidine N(1)-acetyltransferase
著者Le, V.T.B, Tsimbalyuk, S, Lim, E.Q, Solis, A, Gawat, D, Boeck, P, Renolo, R, Forwood, J.K, Kuhn, M.L.
登録日2020-12-02
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献The Vibrio cholerae SpeG Spermidine/Spermine N -Acetyltransferase Allosteric Loop and beta 6-beta 7 Structural Elements Are Critical for Kinetic Activity.
Front Mol Biosci, 8, 2021

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件を2024-08-28に公開中

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