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5P7U
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BU of 5p7u by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 327
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.098 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P8D
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BU of 5p8d by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 346
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.179 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P8S
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BU of 5p8s by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 361
Descriptor: endothiapepsin
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2016-06-28
Release date:2016-08-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.109 Å)
Cite:High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5TGA
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BU of 5tga by Molmil
Crystal structure of the S.cerevisiae 80S ribosome in complex with the A-site bound aminoacyl-tRNA analog ACCA-Pro
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate), ...
Authors:Melnikov, S, Mailliot, J.
Deposit date:2016-09-27
Release date:2016-11-23
Last modified:2016-12-14
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Molecular insights into protein synthesis with proline residues.
EMBO Rep., 17, 2016
4MGK
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BU of 4mgk by Molmil
Selective activation of Epac1 and Epac2
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Rap guanine nucleotide exchange factor 4, Ras-related protein Rap-1b, ...
Authors:Rehmann, H.
Deposit date:2013-08-28
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Selective activation of Epac1 and Epac2
To be Published
4MGZ
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BU of 4mgz by Molmil
Selective activation of Epac1 and Epac2
Descriptor: (2S,4aR,6R,7R,7aS)-6-[6-amino-8-(benzylsulfanyl)-9H-purin-9-yl]-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide, Rap guanine nucleotide exchange factor 4, Ras-related protein Rap-1b, ...
Authors:Rehmann, H.
Deposit date:2013-08-29
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Selective activation of Epac1 and Epac2
To be Published
2CSJ
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BU of 2csj by Molmil
Solution structure of N-terminal PDZ domain from mouse TJP2
Descriptor: Tjp2 protein
Authors:Suetake, T, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-21
Release date:2005-11-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of N-terminal PDZ domain from mouse TJP2
To be Published
5M0B
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BU of 5m0b by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a short-chained N-(2-aminoethyl)isoquinoline-5-sulfonamide) Fasudil-derivative (Ligand 03)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, METHANOL, N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-04
Release date:2018-06-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.506 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
7MLX
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BU of 7mlx by Molmil
SARS-CoV-2 programmed -1 frameshifting element three stem H-type pseudoknot
Descriptor: BL3-6 Fab Heavy Chain, BL3-6 Fab Light Chain, RNA (65-MER)
Authors:Roman, C, Lewicka, A.
Deposit date:2021-04-29
Release date:2021-08-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The SARS-CoV-2 Programmed -1 Ribosomal Frameshifting Element Crystal Structure Solved to 2.09 angstrom Using Chaperone-Assisted RNA Crystallography.
Acs Chem.Biol., 16, 2021
1Q6X
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BU of 1q6x by Molmil
Crystal structure of rat choline acetyltransferase
Descriptor: SODIUM ION, choline O-acetyltransferase
Authors:Cai, Y, Rodgers, D.W.
Deposit date:2003-08-14
Release date:2004-06-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Choline acetyltransferase structure reveals distribution of mutations that cause motor disorders.
Embo J., 23, 2004
1QXH
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BU of 1qxh by Molmil
Crystal Structure of Escherichia coli Thiol Peroxidase in the Oxidized State
Descriptor: Thiol peroxidase
Authors:Choi, J, Choi, S, Choi, J, Shin, W.
Deposit date:2003-09-06
Release date:2004-01-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Escherichia coli thiol peroxidase in the oxidized state: insights into intramolecular disulfide formation and substrate binding in atypical 2-Cys peroxiredoxins
J.Biol.Chem., 278, 2003
1Q8T
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BU of 1q8t by Molmil
The Catalytic Subunit of cAMP-dependent Protein Kinase (PKA) in Complex with Rho-kinase Inhibitor Y-27632
Descriptor: (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
Authors:Breitenlechner, C, Gassel, M, Hidaka, H, Kinzel, V, Huber, R, Engh, R.A, Bossemeyer, D.
Deposit date:2003-08-22
Release date:2003-12-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Protein kinase A in complex with Rho-kinase inhibitors Y-27632, Fasudil, and H-1152P: structural basis of selectivity.
Structure, 11, 2003
1QD8
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BU of 1qd8 by Molmil
COMPLEX OF VANCOMYCIN WITH N-ACETYL GLYCINE
Descriptor: ACETYLAMINO-ACETIC ACID, CHLORIDE ION, VANCOMYCIN, ...
Authors:Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H.
Deposit date:1999-07-15
Release date:1999-08-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1 Å)
Cite:Vancomycin Binding to Low-Affinity Ligands: Delineating a Minimum Set of Interactions Necessary for High-Affinity Binding.
J.Med.Chem., 42, 1999
5FPQ
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BU of 5fpq by Molmil
Structure of Homo sapiens acetylcholinesterase phosphonylated by sarin.
Descriptor: ACETYLCHOLINESTERASE, PENTAETHYLENE GLYCOL
Authors:Allgardsson, A, Berg, L, Akfur, C, Hornberg, A, Worek, F, Linusson, A, Ekstrom, F.
Deposit date:2015-12-02
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of a Prereaction Complex between the Nerve Agent Sarin, its Biological Target Acetylcholinesterase, and the Antidote Hi-6.
Proc.Natl.Acad.Sci.USA, 113, 2016
2CT3
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BU of 2ct3 by Molmil
Solution Structure of the SH3 domain of the Vinexin protein
Descriptor: Vinexin
Authors:Miyamoto, K, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-05-23
Release date:2005-11-23
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of the SH3 domain of the Vinexin protein
To be Published
6B5N
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BU of 6b5n by Molmil
Structure of PfCSP peptide 25 with human protective antibody CIS43
Descriptor: CIS43 Fab Heavy chain, CIS43 Fab Light chain, pfCSP peptide 25: ASN-VAL-ASP-PRO-ASN-ALA-ASN-PRO-ASN-VAL-ASP
Authors:Pancera, M, Weidle, C.
Deposit date:2017-09-29
Release date:2018-03-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.
Nat. Med., 24, 2018
6B6W
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BU of 6b6w by Molmil
Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase, as-isolated (protein batch 2), oxidized C-cluster
Descriptor: CHLORIDE ION, Carbon monoxide dehydrogenase, FE(4)-NI(1)-S(4) CLUSTER, ...
Authors:Wittenborn, E.C, Drennan, C.L.
Deposit date:2017-10-03
Release date:2018-10-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Redox-dependent rearrangements of the NiFeS cluster of carbon monoxide dehydrogenase.
Elife, 7, 2018
5M71
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BU of 5m71 by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with an (R)-methyl substitued Fasudil-derivative.
Descriptor: 5-[[(2~{R})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-26
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.488 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with differently methylated Fasudil-derived ligands
To be Published
6B6V
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BU of 6b6v by Molmil
Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase, as-isolated (protein batch 1), canonical C-cluster
Descriptor: Carbon monoxide dehydrogenase, FE(4)-NI(1)-S(4) CLUSTER, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Wittenborn, E.C, Drennan, C.L.
Deposit date:2017-10-03
Release date:2018-10-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Redox-dependent rearrangements of the NiFeS cluster of carbon monoxide dehydrogenase.
Elife, 7, 2018
6B9X
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BU of 6b9x by Molmil
Crystal structure of Ragulator
Descriptor: Hepatitis B virus x interacting protein, Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, ...
Authors:SU, M.-Y, Hurley, J.H.
Deposit date:2017-10-11
Release date:2017-11-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Hybrid Structure of the RagA/C-Ragulator mTORC1 Activation Complex.
Mol. Cell, 68, 2017
6B5O
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BU of 6b5o by Molmil
Structure of PfCSP peptide 29 with human protective antibody CIS43
Descriptor: CIS43 Fab Heavy chain, CIS43 Fab Light chain, PfCSP peptide 29: ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-ASN
Authors:Pancera, M, Weidle, C.
Deposit date:2017-09-29
Release date:2018-03-21
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.
Nat. Med., 24, 2018
2D2Z
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BU of 2d2z by Molmil
Crystal structure of Soluble Form Of CLIC4
Descriptor: Chloride intracellular channel protein 4
Authors:Li, Y.F, Li, D.F, Wang, D.C.
Deposit date:2005-09-21
Release date:2006-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Trimeric structure of the wild soluble chloride intracellular ion channel CLIC4 observed in crystals
Biochem.Biophys.Res.Commun., 343, 2006
1QVA
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BU of 1qva by Molmil
YEAST INITIATION FACTOR 4A N-TERMINAL DOMAIN
Descriptor: INITIATION FACTOR 4A
Authors:Johnson, E.R, McKay, D.B.
Deposit date:1999-07-07
Release date:1999-12-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic structure of the amino terminal domain of yeast initiation factor 4A, a representative DEAD-box RNA helicase
RNA, 5, 1999
6B6Y
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BU of 6b6y by Molmil
Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase, dithionite-reduced then oxygen-exposed (protein batch 2), oxidized C-cluster
Descriptor: Carbon monoxide dehydrogenase, FE2/S2 (INORGANIC) CLUSTER, Fe(4)-Ni(1)-S(4) cluster, ...
Authors:Wittenborn, E.C, Drennan, C.L.
Deposit date:2017-10-03
Release date:2018-10-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Redox-dependent rearrangements of the NiFeS cluster of carbon monoxide dehydrogenase.
Elife, 7, 2018
5M6Y
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BU of 5m6y by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a methylisoquinoline Fasudil-derivative
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Wienen-Schmidt, B, Heine, A, Klebe, G.
Deposit date:2016-10-26
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.367 Å)
Cite:Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with differently methylated Fasudil-derived ligands
To be Published

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