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6ATU
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BU of 6atu by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: Elafin
Authors:Gewe, M.M, Rupert, P, Strong, R.K.
Deposit date:2017-08-29
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
6ATM
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BU of 6atm by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: Potassium channel toxin alpha-KTx 3.10
Authors:Gewe, M.M, Rupert, P, Strong, R.K.
Deposit date:2017-08-29
Release date:2018-08-22
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
To Be Published
6AQX
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BU of 6aqx by Molmil
Crystal Structure of Z-DNA with 6-fold Twinning_Z4B
Descriptor: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3')
Authors:Luo, Z, Dauter, Z, Gilski, M.
Deposit date:2017-08-21
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Four highly pseudosymmetric and/or twinned structures of d(CGCGCG)2 extend the repertoire of crystal structures of Z-DNA.
Acta Crystallogr D Struct Biol, 73, 2017
6B9U
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BU of 6b9u by Molmil
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase from Brucella melitensis complexed with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DNA gyrase, subunit B:Short-chain dehydrogenase/reductase SDR:Glucose/ribitol dehydrogenase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-10-11
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase from Brucella melitensis complexed with NADH
To Be Published
6ATN
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BU of 6atn by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: Potassium channel toxin alpha-KTx 4.5
Authors:Gewe, M.M, Rupert, P, Strong, R.K.
Deposit date:2017-08-29
Release date:2018-02-28
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
6AVD
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BU of 6avd by Molmil
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Descriptor: Potassium channel toxin alpha-KTx 6.9, SULFATE ION
Authors:Gewe, M.M, Rupert, P, Strong, R.K.
Deposit date:2017-09-01
Release date:2018-02-28
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Screening, large-scale production and structure-based classification of cystine-dense peptides.
Nat. Struct. Mol. Biol., 25, 2018
5Q0J
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BU of 5q0j by Molmil
Ligand binding to FARNESOID-X-RECEPTOR
Descriptor: (2S)-N,2-dicyclohexyl-2-[2-(5-phenylthiophen-2-yl)-1H-benzimidazol-1-yl]acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3
Authors:Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q1D
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BU of 5q1d by Molmil
Ligand binding to FARNESOID-X-RECEPTOR
Descriptor: (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-phenylacetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3
Authors:Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
Deposit date:2017-05-31
Release date:2017-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
4WB3
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BU of 4wb3 by Molmil
Crystal structure of the mirror-image L-RNA/L-DNA aptamer NOX-D20 in complex with mouse C5a-desArg complement anaphylatoxin
Descriptor: ACETATE ION, CALCIUM ION, Complement C5, ...
Authors:Yatime, L, Maasch, C, Hoehlig, K, Klussmann, S, Vater, A, Andersen, G.R.
Deposit date:2014-09-02
Release date:2015-05-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the targeting of complement anaphylatoxin C5a using a mixed L-RNA/L-DNA aptamer.
Nat Commun, 6, 2015
4WBR
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BU of 4wbr by Molmil
Structure of Bradyrhizobium japonicum ScoI with copper bound
Descriptor: Blr1131 protein, COPPER (II) ION
Authors:Quade, N, Abicht, H.K, Hennecke, H, Glockshuber, R.
Deposit date:2014-09-03
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of Bradyrhizobium japonicum ScoI with copper bound
To Be Published
4WDH
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BU of 4wdh by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation Y168A
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ACETIC ACID, CHLORIDE ION
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-08
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
8EBN
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BU of 8ebn by Molmil
Structure of KLHDC2-EloB/C tetrameric assembly
Descriptor: Elongin-B, Elongin-C, Kelch domain-containing protein 2
Authors:Scott, D.C, Schulman, B.A.
Deposit date:2022-08-31
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:E3 ligase autoinhibition by C-degron mimicry maintains C-degron substrate fidelity.
Mol.Cell, 83, 2023
4W5B
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BU of 4w5b by Molmil
Crystal structure analysis of cruzain with Fragment 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide)
Descriptor: Cruzipain, N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
Authors:Tochowicz, A, McKerrow, J.H, Craik, C.S.
Deposit date:2014-08-17
Release date:2015-03-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Applying Fragments Based- Drug Design to identify multiple binding modes on cysteine protease.
To Be Published
4W6J
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BU of 4w6j by Molmil
Crystal Structure of Full-Length Split GFP Mutant D117C Disulfide Dimer, P 31 2 1 Space Group
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, fluorescent protein D117C
Authors:Leibly, D.J, Waldo, G.S, Yeates, T.O.
Deposit date:2014-08-20
Release date:2015-02-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
4W7Z
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BU of 4w7z by Molmil
Tetrameric BAP29 vDED without disulfide bonds
Descriptor: ACETATE ION, B-cell receptor-associated protein 29, SULFATE ION
Authors:Quistgaard, E.M.
Deposit date:2014-08-22
Release date:2014-10-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A disulfide polymerized protein crystal.
Chem.Commun.(Camb.), 50, 2014
4W8N
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BU of 4w8n by Molmil
The crystal structure of hemagglutinin from a swine influenza virus (A/swine/Missouri/2124514/2006)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Yang, H, Carney, P.J, Tumpey, T.M, Stevens, J.
Deposit date:2014-08-25
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Assessment of transmission, pathogenesis and adaptation of H2 subtype influenza viruses in ferrets.
Virology, 477C, 2015
4WA5
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BU of 4wa5 by Molmil
The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals in complex with zanamivir
Descriptor: CALCIUM ION, Neuraminidase, ZANAMIVIR, ...
Authors:Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
Deposit date:2014-08-28
Release date:2015-01-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
4WAG
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BU of 4wag by Molmil
Phosphatidylinositol 4-kinase III beta crystallized with MI103 inhibitor
Descriptor: 6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta
Authors:Chalupska, D, Boura, E.
Deposit date:2014-08-29
Release date:2015-05-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.407 Å)
Cite:Highly Selective Phosphatidylinositol 4-Kinase III beta Inhibitors and Structural Insight into Their Mode of Action.
J.Med.Chem., 58, 2015
4WB2
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BU of 4wb2 by Molmil
Crystal structure of the mirror-image L-RNA/L-DNA aptamer NOX-D20 in complex with mouse C5a complement anaphylatoxin
Descriptor: ACETATE ION, CALCIUM ION, Complement C5, ...
Authors:Yatime, L, Maasch, C, Hoehlig, K, Klussmann, S, Vater, A, Andersen, G.R.
Deposit date:2014-09-02
Release date:2015-05-06
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the targeting of complement anaphylatoxin C5a using a mixed L-RNA/L-DNA aptamer.
Nat Commun, 6, 2015
4WBI
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BU of 4wbi by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutations H230Q and H309Q
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-03
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
4WCA
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BU of 4wca by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation H230Q, complexed with citrate
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION, CITRIC ACID, ...
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-04
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
4W6X
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BU of 4w6x by Molmil
Co-complex structure of the lectin domain of F18 fimbrial adhesin FedF with inhibitory nanobody NbFedF7
Descriptor: F18 fimbrial adhesin AC, Nanobody NbFedF7
Authors:Moonens, K, De Kerpel, M, Coddens, A, Cox, E, Pardon, E, Remaut, H, De Greve, H.
Deposit date:2014-08-21
Release date:2014-12-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Nanobody Mediated Inhibition of Attachment of F18 Fimbriae Expressing Escherichia coli.
Plos One, 9, 2014
4WAE
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BU of 4wae by Molmil
Phosphatidylinositol 4-kinase III beta crystallized with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta
Authors:Chalupska, D, Boura, E.
Deposit date:2014-08-29
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.318 Å)
Cite:Highly Selective Phosphatidylinositol 4-Kinase III beta Inhibitors and Structural Insight into Their Mode of Action.
J.Med.Chem., 58, 2015
4WBA
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BU of 4wba by Molmil
Q/E mutant SA11 NSP4_CCD
Descriptor: GLYCEROL, Non-structural glycoprotein NSP4, PHOSPHATE ION
Authors:Viskovska, M, Sastri, N.P, Hyser, J.M, Tanner, M.R, Horton, L.B, Sankaran, B, Prasad, B.V.V, Estes, M.K.
Deposit date:2014-09-02
Release date:2014-09-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Structural Plasticity of the Coiled-Coil Domain of Rotavirus NSP4.
J.Virol., 88, 2014
4WCB
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BU of 4wcb by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation H309Q
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-04
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015

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