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6RT9
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BU of 6rt9 by Molmil
Orthorhombic lysozyme grown with 300g/L sucrose
分子名称: CHLORIDE ION, Lysozyme C, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Pereira, P.J.B, Ferreira, C, Martins, P.M.
登録日2019-05-22
公開日2019-06-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Protein crystals as a key for deciphering macromolecular crowding effects on biological reactions.
Phys Chem Chem Phys, 22, 2020
8CBT
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BU of 8cbt by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT872
分子名称: (2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P.
登録日2023-01-25
公開日2023-06-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
6RTA
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BU of 6rta by Molmil
Tetragonal lysozyme grown with 300g/L Ficoll
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Pereira, P.J.B, Ferreira, C, Martins, P.M.
登録日2019-05-22
公開日2019-06-26
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Protein crystals as a key for deciphering macromolecular crowding effects on biological reactions.
Phys Chem Chem Phys, 22, 2020
7WH5
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BU of 7wh5 by Molmil
Crystal structure of human ClpP in complex with ZG180
分子名称: (6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ...
著者Wei, B.Y, Gan, J.H, Yang, C.-G.
登録日2021-12-29
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Anti-infective therapy using species-specific activators of Staphylococcus aureus ClpP.
Nat Commun, 13, 2022
2R1L
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BU of 2r1l by Molmil
OpdA from Agrobacterium radiobacter with bound diethyl thiophosphate from crystal soaking with the compound- 1.95 A
分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, FE (II) ION, ...
著者Ollis, D.L, Jackson, C.J, Foo, J.L, Kim, H.K, Carr, P.D, Liu, J.W, Salem, G.
登録日2007-08-23
公開日2008-02-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献In crystallo capture of a Michaelis complex and product-binding modes of a bacterial phosphotriesterase
J.Mol.Biol., 375, 2008
6RWK
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BU of 6rwk by Molmil
MxiD N0 N1 and MxiG C-terminal domains of the Shigella type 3 secretion system
分子名称: Outer membrane protein MxiD, Protein MxiG
著者Kamprad, A, Lunelli, M.
登録日2019-06-05
公開日2020-02-12
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Cryo-EM structure of the Shigella type III needle complex.
Plos Pathog., 16, 2020
2QPN
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BU of 2qpn by Molmil
GES-1 beta-lactamase
分子名称: Beta-lactamase GES-1, SULFATE ION
著者Smith, C.A, Caccamo, M, Kantardjieff, K.A, Vakulenko, S.
登録日2007-07-24
公開日2008-08-12
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure of GES-1 at atomic resolution: insights into the evolution of carbapenamase activity in the class A extended-spectrum beta-lactamases.
Acta Crystallogr.,Sect.D, 63, 2007
8SZH
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BU of 8szh by Molmil
Cryo-EM structure of cinacalcet-bound human calcium-sensing receptor CaSR-Gi complex in lipid nanodiscs
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者He, F, Wu, C, Gao, Y, Skiniotis, G.
登録日2023-05-29
公開日2024-02-07
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Allosteric modulation and G-protein selectivity of the Ca 2+ -sensing receptor.
Nature, 626, 2024
4ILF
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BU of 4ilf by Molmil
Crystal structure of DsbC R125A from Salmonella enterica serovar Typhimurium
分子名称: Thiol:disulfide interchange protein DsbC
著者Ha, N.C, Li, J, Kim, J.S, Yoon, B.Y, Yeom, J.H, Lee, K.
登録日2012-12-31
公開日2013-10-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Crystal structure of the periplasmic disulfide-bond isomerase DsbC from Salmonella enterica serovar Typhimurium and the mechanistic implications.
J.Struct.Biol., 183, 2013
3T7F
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BU of 3t7f by Molmil
Atg8 transfer from Atg7 to Atg3: a distinctive E1-E2 architecture and mechanism in the autophagy pathway
分子名称: Ubiquitin-like modifier-activating enzyme ATG7
著者Taherbhoy, A.M, Tait, S.W, Kaiser, S.E, Williams, A.H, Deng, A, Nourse, A, Hammel, M, Kurinov, I, Rock, C.O, Green, D.R, Schulman, B.A.
登録日2011-07-30
公開日2011-11-23
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Atg8 transfer from atg7 to atg3: a distinctive e1-e2 architecture and mechanism in the autophagy pathway.
Mol.Cell, 44, 2011
1ERP
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BU of 1erp by Molmil
NUCLEAR MAGNETIC RESONANCE SOLUTION STRUCTURE OF THE PHEROMONE ER-10 FROM THE CILIATED PROTOZOAN EUPLOTES RAIKOVI
分子名称: PHEROMONE ER-10
著者Brown, L.R, Mronga, S, Bradshaw, R, Ortenzi, C, Luporini, P, Wuthrich, K.
登録日1992-12-02
公開日1993-10-31
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献Nuclear magnetic resonance solution structure of the pheromone Er-10 from the ciliated protozoan Euplotes raikovi.
J.Mol.Biol., 231, 1993
5W62
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BU of 5w62 by Molmil
Crystal structure of mouse BAX monomer
分子名称: Apoptosis regulator BAX, SULFATE ION
著者Robin, A.Y, Colman, P.M, Czabotar, P.E, Luo, C.S.
登録日2017-06-16
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献Ensemble Properties of Bax Determine Its Function.
Structure, 26, 2018
8CAI
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BU of 8cai by Molmil
Streptomycin and Hygromycin B bound to the 30S body
分子名称: 16S rRNA, 30S ribosomal protein S16, 30S ribosomal protein S2, ...
著者Paternoga, H, Crowe-McAuliffe, C, Novacek, J, Wilson, D.N.
登録日2023-01-24
公開日2023-07-26
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.08 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
6ROH
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BU of 6roh by Molmil
Cryo-EM structure of the autoinhibited Drs2p-Cdc50p
分子名称: 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Timcenko, M, Lyons, J.A, Januliene, D, Ulstrup, J.J, Dieudonne, T, Montigny, C, Ash, M.R, Karlsen, J.L, Boesen, T, Kuhlbrandt, W, Lenoir, G, Moeller, A, Nissen, P.
登録日2019-05-13
公開日2019-07-03
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structure and autoregulation of a P4-ATPase lipid flippase.
Nature, 571, 2019
9H8E
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BU of 9h8e by Molmil
Crystal structure of HPK1 T165E/S171E in complex with compound 13
分子名称: 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(4-morpholin-4-ylphenyl)amino]pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
著者Schimpl, M, Pflug, A.
登録日2024-10-29
公開日2025-02-19
最終更新日2025-03-05
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献Discovery and Optimization of Pyrazine Carboxamide AZ3246, a Selective HPK1 Inhibitor.
J.Med.Chem., 68, 2025
3E46
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BU of 3e46 by Molmil
Crystal structure of ubiquitin-conjugating enzyme E2-25kDa (Huntington interacting protein 2) M172A mutant
分子名称: CALCIUM ION, Ubiquitin-conjugating enzyme E2-25 kDa
著者Hughes, R.C, Wilson, R.C, Flatt, J.W, Meehan, E.J, Ng, J.D, Twigg, P.D.
登録日2008-08-09
公開日2008-08-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure of full-length ubiquitin-conjugating enzyme E2-25K (huntingtin-interacting protein 2).
Acta Crystallogr.,Sect.F, 65, 2009
9H8F
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BU of 9h8f by Molmil
Crystal structure of HPK1 T165E/S171E in complex with pyrazine carboxamide inhibitor AZ3246 (compound 24)
分子名称: 1,2-ETHANEDIOL, 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[3-methyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazol-4-yl]amino]pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
著者Schimpl, M, Pflug, A.
登録日2024-10-29
公開日2025-02-19
最終更新日2025-03-05
実験手法X-RAY DIFFRACTION (1.393 Å)
主引用文献Discovery and Optimization of Pyrazine Carboxamide AZ3246, a Selective HPK1 Inhibitor.
J.Med.Chem., 68, 2025
1H3I
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BU of 1h3i by Molmil
Crystal structure of the Histone Methyltransferase SET7/9
分子名称: HISTONE H3 LYSINE 4 SPECIFIC METHYLTRANSFERASE, MAGNESIUM ION
著者Wilson, J.R, Jing, C, Walker, P.A, Martin, S.R, Howell, S.A, Blackburn, G.M, Gamblin, S.J, Xiao, B.
登録日2002-09-04
公開日2002-11-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure and Functional Analysis of the Histone Methyltransferase Set7/9
Cell(Cambridge,Mass.), 111, 2002
2BBL
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BU of 2bbl by Molmil
NMR structures of the peptide linked to the genome (VPg) of poliovirus in a stabilizing solvent
分子名称: Genome linked protein VPg
著者Schein, C.H, Oezguen, N.
登録日2005-10-17
公開日2006-03-28
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure of the viral peptide linked to the genome (VPg) of poliovirus.
Peptides, 27, 2006
4III
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BU of 4iii by Molmil
Lambda-[Ru(TAP)2(11-Cl-dppz)] with a DNA decamer at atomic resolution
分子名称: 5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3', BARIUM ION, Ru(TAP)2(Cl-dppz) complex
著者Hall, J.P, Cardin, C.J.
登録日2012-12-20
公開日2013-07-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Preferred orientation in an angled intercalation site of a chloro-substituted Lambda-[Ru(TAP)2(dppz)]2+ complex bound to d(TCGGCGCCGA)2.
Philos Trans A Math Phys Eng Sci, 371, 2013
6X8C
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BU of 6x8c by Molmil
Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J1 immobile Holliday junction
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*G)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*TP*GP*GP*TP*CP*TP*GP*C)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-06-01
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.098 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
6XDV
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BU of 6xdv by Molmil
Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J3 immobile Holliday junction
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*GP*TP*G)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*GP*CP*GP*TP*CP*TP*GP*C)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-06-11
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.003 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
6XFC
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BU of 6xfc by Molmil
Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J19 immobile Holliday junction
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*GP*CP*GP*TP*CP*TP*GP*C)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-06-15
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.756 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
6XFE
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BU of 6xfe by Molmil
Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J21 immobile Holliday junction
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*G)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*CP*GP*GP*TP*CP*TP*GP*C)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-06-15
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
6XG0
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Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J31 immobile Holliday junction
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*GP*GP*GP*TP*CP*TP*GP*C)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-06-16
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.178 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022

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