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5SQV
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BU of 5sqv by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5010894399 - (S,S) isomer
Descriptor: (1S,2S)-4-hydroxy-1-{4-[(pyridin-3-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4V02
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BU of 4v02 by Molmil
MinC:MinD cell division protein complex, Aquifex aeolicus
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROBABLE SEPTUM SITE-DETERMINING PROTEIN MINC, ...
Authors:Ghosal, D, Lowe, J.
Deposit date:2014-09-10
Release date:2015-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mincd Cell Division Proteins Form Alternating Copolymeric Cytomotive Filaments.
Nat.Commun., 5, 2014
2RMQ
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BU of 2rmq by Molmil
Solution structure of fully modified 4'-thioDNA with the sequence of d(CGCGAATTCGCG)
Descriptor: DNA (5'-D(*(C4S)P*(S4G)P*(C4S)P*(S4G)P*(S4A)P*(S4A)P*(T49)P*(T49)P*(C4S)P*(S4G)P*(C4S)P*(S4G))-3')
Authors:Matsugami, A, Ohyama, T, Inada, M, Katahira, M.
Deposit date:2007-11-12
Release date:2008-04-15
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Unexpected A-form formation of 4'-thioDNA in solution, revealed by NMR, and the implications as to the mechanism of nuclease resistance
Nucleic Acids Res., 36, 2008
8GXZ
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BU of 8gxz by Molmil
1 sulfate and 1 ATP bound V1EG of V/A-ATPase from Thermus thermophilus.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
Authors:Nakanishi, A, Kishikawa, J, Mitsuoka, K, Yokoyama, K.
Deposit date:2022-09-21
Release date:2023-01-25
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM analysis of V/A-ATPase intermediates reveals the transition of the ground-state structure to steady-state structures by sequential ATP binding.
J.Biol.Chem., 299, 2023
5SQU
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BU of 5squ by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250004627335
Descriptor: DIMETHYL SULFOXIDE, N,3-dimethyl-N-(1H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4V1P
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BU of 4v1p by Molmil
BTN3 Structure
Descriptor: BUTYROPHILIN SUBFAMILY 3 MEMBER A1
Authors:James, L.C.
Deposit date:2014-09-30
Release date:2015-07-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Activation of Human Gammadelta T Cells by Cytosolic Interactions of Btn3A1 with Soluble Phosphoantigens and the Cytoskeletal Adaptor Periplakin.
J.Immunol., 194, 2015
8HCA
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BU of 8hca by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (1 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB13-292 Fab, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (4.35 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
2RN5
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BU of 2rn5 by Molmil
Humal Insulin Mutant B31Lys-B32Arg
Descriptor: Insulin
Authors:Bocian, W, Kozerski, L.
Deposit date:2007-12-06
Release date:2008-10-28
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:NMR structure of biosynthetic engineered human insulin monomer B31(Lys)-B32(Arg) in water/acetonitrile solution. Comparison with the solution structure of native human insulin monomer
Biopolymers, 89, 2008
5SR0
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BU of 5sr0 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z3649721459 - (R,S) and (S,R) isomers
Descriptor: (1R,2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol, (1S,2R)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8H99
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BU of 8h99 by Molmil
Crystal structure of E. coli ThrS catalytic domain mutant
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, IMIDAZOLE, MAGNESIUM ION, ...
Authors:Qiao, H, Xia, M, Wang, J, Fang, P.
Deposit date:2022-10-25
Release date:2023-02-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
2RO1
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BU of 2ro1 by Molmil
NMR Solution Structures of Human KAP1 PHD finger-bromodomain
Descriptor: Transcription intermediary factor 1-beta, ZINC ION
Authors:Zeng, L, Yap, K.L, Ivanov, A.V, Wang, X, Mujtaba, S, Plotnikova, O, Rauscher, F.J.
Deposit date:2008-03-04
Release date:2008-05-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural insights into human KAP1 PHD finger-bromodomain and its role in gene silencing
Nat.Struct.Mol.Biol., 15, 2008
4US1
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BU of 4us1 by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
Descriptor: (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
Authors:Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
5SS9
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BU of 5ss9 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCow000000AiWv - (R) isomer
Descriptor: (3R)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4UWU
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BU of 4uwu by Molmil
Lysozyme soaked with a ruthenium based CORM with a pyridine ligand (complex 7)
Descriptor: CARBON MONOXIDE, CHLORIDE ION, FORMIC ACID, ...
Authors:Santos, M.F.A, Mukhopadhyay, A, Romao, M.J, Romao, C.C, Santos-Silva, T.
Deposit date:2014-08-14
Release date:2014-12-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A Contribution to the Rational Design of Ru(Co)3Cl2L Complexes for in Vivo Delivery of Co.
Dalton Trans, 44, 2015
8H9C
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BU of 8h9c by Molmil
Crystal structure of chemically modified E. coli ThrS catalytic domain 4
Descriptor: N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION
Authors:Qiao, H, Xia, M, Wang, J, Fang, P.
Deposit date:2022-10-25
Release date:2023-02-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion.
Commun Biol, 6, 2023
2R51
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BU of 2r51 by Molmil
Crystal Structure of mouse Vps26B
Descriptor: Vacuolar protein sorting-associated protein 26B
Authors:Owen, D.J, Teasdale, R.D, Collins, B.M.
Deposit date:2007-09-02
Release date:2008-07-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Vps26B and mapping of its interaction with the retromer protein complex.
Traffic, 9, 2008
5SSR
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BU of 5ssr by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5459166300
Descriptor: 3-{[(2-hydroxy-1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4UTO
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BU of 4uto by Molmil
Crystal structure of pneumococcal surface antigen PsaA D280N in the Cd-bound, open state
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, MANGANESE ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTEIN
Authors:Luo, Z, Counago, R.M, Maher, M, Kobe, B.
Deposit date:2014-07-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae.
Nat Commun, 6, 2015
2R5I
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BU of 2r5i by Molmil
Pentamer Structure of Major Capsid Protein L1 of Human Papilloma Virus type 18
Descriptor: L1 protein
Authors:Bishop, B, Dasgupta, J, Chen, X.S.
Deposit date:2007-09-03
Release date:2008-05-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structures of four types of human papillomavirus L1 capsid proteins: understanding the specificity of neutralizing monoclonal antibodies.
J.Biol.Chem., 282, 2007
8HJB
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BU of 8hjb by Molmil
Crystal structure of Pseudomonas aeruginosa PvrA with coenzyme A
Descriptor: COENZYME A, TetR family transcriptional regulator
Authors:Liang, H, Bartlam, M.
Deposit date:2022-11-23
Release date:2023-02-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Regulatory and structural mechanisms of PvrA-mediated regulation of the PQS quorum-sensing system and PHA biosynthesis in Pseudomonas aeruginosa.
Nucleic Acids Res., 51, 2023
8HDP
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BU of 8hdp by Molmil
Structure of A2BR bound to endogenous agonists adenosine
Descriptor: ADENOSINE, Adenosine A2b receptor, CHOLESTEROL, ...
Authors:Cai, H, Xu, Y, Xu, H.E, Jiang, Y.
Deposit date:2022-11-05
Release date:2023-01-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists.
Cell Discov, 8, 2022
4USZ
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BU of 4usz by Molmil
Crystal structure of the first bacterial vanadium dependant iodoperoxidase
Descriptor: SODIUM ION, VANADATE ION, VANADIUM-DEPENDENT HALOPEROXIDASE
Authors:Rebuffet, E, Delage, L, Fournier, J.B, Rzonca, J, Potin, P, Michel, G, Czjzek, M, Leblanc, C.
Deposit date:2014-07-17
Release date:2014-10-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Bacterial Vanadium Iodoperoxidase from the Marine Flavobacteriaceae Zobellia Galactanivorans Reveals Novel Molecular and Evolutionary Features of Halide Specificity in This Enzyme Family.
Appl.Environ.Microbiol., 80, 2014
5SQX
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BU of 5sqx by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5183357278 - (R,R) and (S,S) isomers
Descriptor: (1R,2R)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SQW
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BU of 5sqw by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5014193706 - (R,R) and (S,S) isomers
Descriptor: (1R,2R)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid, (1S,2S)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HHI
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BU of 8hhi by Molmil
Crystal structure of a triple-helix region of human collagen type III
Descriptor: human collagen type III
Authors:Yan, Z.C, Zhang, D, Qin, B.
Deposit date:2022-11-16
Release date:2023-01-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of a triple-helix region of human collagen type III
To Be Published

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數據於2024-10-16公開中

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