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8R7T
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BU of 8r7t by Molmil
Crystal Structure of Cyclophilin TgCyp23 from Toxoplasma gondii in complex with Alisporivir (nonimmunosuppressive analogue of Cyclosporin)
Descriptor: Alisporivir, Peptidyl-prolyl cis-trans isomerase
Authors:Jimenez-Faraco, E, Hermoso, J.A.
Deposit date:2023-11-27
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Evaluating the potential of non-immunosuppressive cyclosporin analogs for targeting Toxoplasma gondii cyclophilin: Insights from structural studies.
Protein Sci., 33, 2024
8R7S
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BU of 8r7s by Molmil
Crystal Structure of Cyclophilin TgCyp23 from Toxoplasma gondii in complex with NIM811 (N-methyl-4-isoleucine cyclosporin)
Descriptor: CYCLOSPORIN A, 8 mutation, Peptidyl-prolyl cis-trans isomerase
Authors:Jimenez-Faraco, E, Hermoso, J.A.
Deposit date:2023-11-27
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Evaluating the potential of non-immunosuppressive cyclosporin analogs for targeting Toxoplasma gondii cyclophilin: Insights from structural studies.
Protein Sci., 33, 2024
6PUO
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BU of 6puo by Molmil
Human TRPM2 in the apo state
Descriptor: Transient receptor potential cation channel subfamily M member 2
Authors:Du, J, Lu, W, Huang, Y.
Deposit date:2019-07-18
Release date:2019-09-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel.
Elife, 8, 2019
6PUD
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BU of 6pud by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-5'OH-Pentyl-5-OP-U
Descriptor: 6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, Human TCR alpha chain, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
9IK1
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BU of 9ik1 by Molmil
Cryo-EM structure of the human P2X3 receptor-compound 26a complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[2-cyclopropyl-7-[[(1~{R})-1-naphthalen-2-ylethyl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Kim, S, Kim, G.R, Kim, Y.O, Han, X, Nagel, J, Kim, J, Song, D.I, Muller, C.E, Yoon, M.H, Jin, M.S, Kim, Y.C.
Deposit date:2024-06-26
Release date:2024-09-04
Last modified:2024-11-27
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Discovery of Triazolopyrimidine Derivatives as Selective P2X3 Receptor Antagonists Binding to an Unprecedented Allosteric Site as Evidenced by Cryo-Electron Microscopy.
J.Med.Chem., 67, 2024
8R40
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BU of 8r40 by Molmil
Crystal structure of diabody CR57 in complex with rabies virus protein G domain III
Descriptor: GLYCEROL, Glycoprotein, Homospecific Diabody CR57
Authors:Kedari, A, Rissanen, I.
Deposit date:2023-11-10
Release date:2024-11-06
Last modified:2024-12-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insight into rabies virus neutralization revealed by an engineered antibody scaffold.
Structure, 32, 2024
4UI0
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BU of 4ui0 by Molmil
Crystal structure of the human RGMB-BMP2 complex, crystal form 2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BONE MORPHOGENETIC PROTEIN 2, CHLORIDE ION, ...
Authors:Healey, E.G, Bishop, B, Elegheert, J, Bell, C.H, Padilla-Parra, S, Siebold, C.
Deposit date:2015-03-27
Release date:2015-05-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Repulsive Guidance Molecule is a Structural Bridge between Neogenin and Bone Morphogenetic Protein.
Nat.Struct.Mol.Biol., 22, 2015
8UMW
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BU of 8umw by Molmil
Atomic model of the human CTF18-RFC-PCNA-DNA ternary complex in the five-subunit binding state (state 4)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18 homolog, DNA (20-MER), ...
Authors:Wang, F, He, Q, Li, H.
Deposit date:2023-10-18
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Cryo-EM reveals a nearly complete PCNA loading process and unique features of the human alternative clamp loader CTF18-RFC.
Proc.Natl.Acad.Sci.USA, 121, 2024
4JQE
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BU of 4jqe by Molmil
Crystal structure of scCK2 alpha in complex with AMPPN
Descriptor: Casein kinase II subunit alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Liu, H.
Deposit date:2013-03-20
Release date:2014-03-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway.
Acta Crystallogr.,Sect.D, 70, 2014
8RJ7
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BU of 8rj7 by Molmil
The crystal structure of the SARS-CoV-2 receptor binding domain in complex with the neutralizing nanobody 1.29
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Camel-derived nanobody 1.29, LYSINE, ...
Authors:Casasnovas, J.M, Fernandez, L.A, Silva, K.
Deposit date:2023-12-20
Release date:2024-11-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of the SARS-CoV-2 receptor binding domain in complex with the neutralizing nanobody 1.29
To Be Published
1AM7
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BU of 1am7 by Molmil
Lysozyme from bacteriophage lambda
Descriptor: ISOPROPYL ALCOHOL, LYSOZYME
Authors:Evrard, C, Fastrez, J, Declercq, J.P.
Deposit date:1997-06-24
Release date:1997-12-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the lysozyme from bacteriophage lambda and its relationship with V and C-type lysozymes.
J.Mol.Biol., 276, 1998
5EBI
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BU of 5ebi by Molmil
Crystal structure of a DNA-RNA chimera in complex with Ba2+ ions: a case of unusual multi-domain twinning
Descriptor: BARIUM ION, DNA/RNA (5'-D(*C)-R(P*G)-D(P*C)-R(P*G)-D(P*C)-R(P*G)-3')
Authors:Gilski, M, Drozdzal, P, Kierzek, R, Jaskolski, M.
Deposit date:2015-10-19
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Atomic resolution structure of a chimeric DNA-RNA Z-type duplex in complex with Ba(2+) ions: a case of complicated multi-domain twinning.
Acta Crystallogr D Struct Biol, 72, 2016
5DRJ
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BU of 5drj by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dichloro-substituted, 3-methyl 2,5-diarylthiophene-core ligand 4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol)
Descriptor: 4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol), Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-09-15
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
6ONO
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BU of 6ono by Molmil
Complex structure of WhiB1 and region 4 of SigA in C2221 space group
Descriptor: DI(HYDROXYETHYL)ETHER, IRON/SULFUR CLUSTER, RNA polymerase sigma factor SigA, ...
Authors:Wan, T, Li, S.R, Beltran, D.G, Schacht, A, Becker, D.C, Zhang, L.M.
Deposit date:2019-04-22
Release date:2019-11-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of non-canonical transcriptional regulation by the sigma A-bound iron-sulfur protein WhiB1 in M. tuberculosis.
Nucleic Acids Res., 48, 2020
8PO8
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BU of 8po8 by Molmil
Structure of Escherichia coli HrpA in complex with ADP and oligonucleotide poly(dC)11 forming an i-motif
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase HrpA, DNA (5'-D(P*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*C)-3'), ...
Authors:Xin, B.G, Yuan, L.G, Zhang, L.L, Xie, S.M, Liu, N.N, Ai, X, Li, H.H, Rety, S, Xi, X.G.
Deposit date:2023-07-03
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structural insights into the N-terminal APHB domain of HrpA: mediating canonical and i-motif recognition.
Nucleic Acids Res., 52, 2024
8PO7
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BU of 8po7 by Molmil
Structure of Escherichia coli HrpA in complex with ADP and dinucleotide dCdC
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase HrpA, DNA (5'-D(P*CP*C)-3'), ...
Authors:Xin, B.G, Yuan, L.G, Zhang, L.L, Xie, S.M, Liu, N.N, Ai, X, Li, H.H, Rety, S, Xi, X.G.
Deposit date:2023-07-03
Release date:2024-05-08
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural insights into the N-terminal APHB domain of HrpA: mediating canonical and i-motif recognition.
Nucleic Acids Res., 52, 2024
8PO6
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BU of 8po6 by Molmil
Structure of Escherichia coli HrpA apo form
Descriptor: ATP-dependent RNA helicase HrpA, PHOSPHATE ION
Authors:Xin, B.G, Yuan, L.G, Zhang, L.L, Xie, S.M, Liu, N.N, Ai, X, Li, H.H, Rety, S, Xi, X.G.
Deposit date:2023-07-03
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structural insights into the N-terminal APHB domain of HrpA: mediating canonical and i-motif recognition.
Nucleic Acids Res., 52, 2024
8PVZ
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BU of 8pvz by Molmil
Manganese-dependent transcriptional repressor DR2539 complexed with cadmium
Descriptor: CADMIUM ION, Iron dependent repressor, putative
Authors:Mota, C, De Sanctis, D.
Deposit date:2023-07-18
Release date:2024-05-08
Last modified:2025-02-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metal ion activation and DNA recognition by the Deinococcus radiodurans manganese sensor DR2539.
Febs J., 291, 2024
8PVT
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BU of 8pvt by Molmil
Manganese-dependent transcriptional repressor DR2539 complexed with cadmium (SAD 7 keV)
Descriptor: CADMIUM ION, Iron dependent repressor, putative
Authors:Mota, C, De Sanctis, D.
Deposit date:2023-07-18
Release date:2024-05-08
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Metal ion activation and DNA recognition by the Deinococcus radiodurans manganese sensor DR2539.
Febs J., 291, 2024
8PW0
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BU of 8pw0 by Molmil
Manganese-dependent transcriptional repressor DR2539 complexed with manganese and bound to dr1709 promotor
Descriptor: DNA (5'-D(*TP*AP*TP*TP*TP*TP*AP*GP*GP*CP*GP*CP*GP*AP*CP*TP*AP*AP*AP*AP*T)-3'), GLYCEROL, Iron dependent repressor, ...
Authors:Mota, C, De Sanctis, D.
Deposit date:2023-07-18
Release date:2024-05-08
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Metal ion activation and DNA recognition by the Deinococcus radiodurans manganese sensor DR2539.
Febs J., 291, 2024
4UBP
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BU of 4ubp by Molmil
STRUCTURE OF BACILLUS PASTEURII UREASE INHIBITED WITH ACETOHYDROXAMIC ACID AT 1.55 A RESOLUTION
Descriptor: ACETOHYDROXAMIC ACID, NICKEL (II) ION, PROTEIN (UREASE (CHAIN A)), ...
Authors:Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S.
Deposit date:1999-02-25
Release date:2000-03-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The complex of Bacillus pasteurii urease with acetohydroxamate anion from X-ray data at 1.55 A resolution.
J.Biol.Inorg.Chem., 5, 2000
6PUU
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BU of 6puu by Molmil
Human TRPM2 bound to 8-Br-cADPR and calcium
Descriptor: (2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide, CALCIUM ION, Transient receptor potential cation channel subfamily M member 2
Authors:Du, J, Lu, W, Huang, Y.
Deposit date:2019-07-18
Release date:2019-09-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Ligand recognition and gating mechanism through three ligand-binding sites of human TRPM2 channel.
Elife, 8, 2019
2J0Z
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BU of 2j0z by Molmil
p53 tetramerization domain wild type
Descriptor: CELLULAR TUMOR ANTIGEN P53
Authors:Carbajo, R.J, Mora, P, Sanchez del Pino, M.M, Perez-Paya, E, Pineda-Lucena, A.
Deposit date:2006-08-08
Release date:2007-08-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solvent-exposed residues located in the beta-sheet modulate the stability of the tetramerization domain of p53--a structural and combinatorial approach.
Proteins, 71, 2008
6Q7T
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BU of 6q7t by Molmil
ERK2 mini-fragment binding
Descriptor: 1,2-oxazol-3-amine, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
Deposit date:2018-12-13
Release date:2019-06-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6QAH
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BU of 6qah by Molmil
ERK2 mini-fragment binding
Descriptor: 1-azanylpropylideneazanium, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
Deposit date:2018-12-19
Release date:2019-06-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019

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數據於2025-03-12公開中

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