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4IHL
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BU of 4ihl by Molmil
Human 14-3-3 isoform zeta in complex with a diphoyphorylated C-RAF peptide and Cotylenin A
分子名称: (1R,3aS,4R,5R,6R,9aR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,1 1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de cahydrodicyclopenta[a,d][8]annulene-1,5-diol, 14-3-3 protein zeta/delta, POTASSIUM ION, ...
著者Molzan, M, Ottmann, C.
登録日2012-12-19
公開日2013-09-25
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Stabilization of Physical RAF/14-3-3 Interaction by Cotylenin A as Treatment Strategy for RAS Mutant Cancers.
Acs Chem.Biol., 8, 2013
5K3W
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BU of 5k3w by Molmil
Structural characterisation of fold IV-transaminase, CpuTA1, from Curtobacterium pusillum
分子名称: 3-AMINOBENZOIC ACID, CpuTA1, PYRIDOXAL-5'-PHOSPHATE
著者Pavkov-Keller, T, Diepold, M, Steiner, K, Gruber, K.
登録日2016-05-20
公開日2016-12-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Discovery and structural characterisation of new fold type IV-transaminases exemplify the diversity of this enzyme fold.
Sci Rep, 6, 2016
2ACE
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BU of 2ace by Molmil
NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA
分子名称: ACETYLCHOLINE, ACETYLCHOLINESTERASE
著者Harel, M, Raves, M.L, Silman, I, Sussman, J.L.
登録日1996-06-23
公開日1996-11-08
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A.
Nat.Struct.Biol., 4, 1997
4IEA
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BU of 4iea by Molmil
14-3-3 isoform sigma in complex with a phosphorylated C-RAF peptide
分子名称: 14-3-3 protein sigma, RAF proto-oncogene serine/threonine-protein kinase
著者Molzan, M, Ottmann, C.
登録日2012-12-13
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Stabilization of Physical RAF/14-3-3 Interaction by Cotylenin A as Treatment Strategy for RAS Mutant Cancers.
Acs Chem.Biol., 8, 2013
8PBF
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BU of 8pbf by Molmil
Galectin-3C in complex with a triazolesulfane derivative
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenylsulfanyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol, Galectin-3, THIOCYANATE ION
著者Kumar, R, Mahanti, M.
登録日2023-06-09
公開日2023-11-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Ligand Sulfur Oxidation State Progressively Alters Galectin-3-Ligand Complex Conformations To Induce Affinity-Influencing Hydrogen Bonds.
J.Med.Chem., 66, 2023
8PF9
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BU of 8pf9 by Molmil
Galectin-3C in complex with a triazolesulfane derivative
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[oxidanyl(phenyl)-$l^{3}-sulfanyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol, Galectin-3, MAGNESIUM ION, ...
著者Kumar, R, Mahanti, M, Nilsson, U.J, Logan, D.T.
登録日2023-06-15
公開日2023-11-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Ligand Sulfur Oxidation State Progressively Alters Galectin-3-Ligand Complex Conformations To Induce Affinity-Influencing Hydrogen Bonds.
J.Med.Chem., 66, 2023
8PFF
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BU of 8pff by Molmil
Galectin-3C in complex with a triazolesulfone derivative
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-(phenylsulfonyl)-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-oxane-3,4,5-triol, Galectin-3, MAGNESIUM ION, ...
著者Kumar, R, Mahanti, M, Nilsson, U.J, Logan, D.T.
登録日2023-06-15
公開日2023-11-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Ligand Sulfur Oxidation State Progressively Alters Galectin-3-Ligand Complex Conformations To Induce Affinity-Influencing Hydrogen Bonds.
J.Med.Chem., 66, 2023
5OJN
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BU of 5ojn by Molmil
Sirtuin 4 from Xenopus tropicalis in complex with thioacetyl-ADP-ribose
分子名称: NAD-dependent protein deacylase, ZINC ION, thioacetyl-ADP-ribose
著者Pannek, M, Steegborn, C.
登録日2017-07-22
公開日2017-11-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features.
Nat Commun, 8, 2017
5OJ7
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BU of 5oj7 by Molmil
Sirtuin 4 orthologue from Xenopus Tropicalis in complex with ADP-ribose
分子名称: 1,2-ETHANEDIOL, GLYCEROL, NAD-dependent protein deacylase, ...
著者Pannek, M, Steegborn, C.
登録日2017-07-20
公開日2017-11-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features.
Nat Commun, 8, 2017
5OJO
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BU of 5ojo by Molmil
Sirtuin 5 from Danio rerio in complex with 3-hydroxy-3-methylglutaryl-CPS1 peptide
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carbamoyl-phosphate synthase [ammonia], ...
著者Pannek, M, Steegborn, C.
登録日2017-07-22
公開日2017-11-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features.
Nat Commun, 8, 2017
5MGQ
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BU of 5mgq by Molmil
Solution structure of oxidized and amidated human IAPP (1-37), the diabetes II peptide.
分子名称: Islet amyloid polypeptide
著者Rodriguez Camargo, D.C, Tripsianes, K, Reif, B.
登録日2016-11-21
公開日2017-03-29
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The redox environment triggers conformational changes and aggregation of hIAPP in Type II Diabetes.
Sci Rep, 7, 2017
5NRY
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BU of 5nry by Molmil
Cys-Gly dipeptidase GliJ in complex with Fe3+
分子名称: CHLORIDE ION, Dipeptidase gliJ, FE (III) ION
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5NRX
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BU of 5nrx by Molmil
Cys-Gly dipeptidase GliJ in complex with Fe2+
分子名称: CHLORIDE ION, Dipeptidase gliJ, FE (III) ION
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
2QC7
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BU of 2qc7 by Molmil
Crystal structure of the protein-disulfide isomerase related chaperone ERp29
分子名称: Endoplasmic reticulum protein ERp29
著者Barak, N.N, Sevvana, M, Neumann, P, Malesevic, M, Naumann, K, Fischer, G, Sheldrick, G.M, Stubbs, M.T, Ferrari, D.M.
登録日2007-06-19
公開日2008-06-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure and functional analysis of the protein disulfide isomerase-related protein ERp29.
J.Mol.Biol., 385, 2009
5HT6
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BU of 5ht6 by Molmil
Crystal structure of the SET domain of the human MLL5 methyltransferase
分子名称: Histone-lysine N-methyltransferase 2E
著者le Maire, A, Mas-y-Mas, S, Dumas, C, Lebedev, A.
登録日2016-01-26
公開日2016-11-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献The Human Mixed Lineage Leukemia 5 (MLL5), a Sequentially and Structurally Divergent SET Domain-Containing Protein with No Intrinsic Catalytic Activity.
Plos One, 11, 2016
6SAQ
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BU of 6saq by Molmil
wild-type NuoEF from Aquifex aeolicus bound to NADH-OH
分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Gerhardt, S.
登録日2019-07-17
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural Basis for Inhibition of ROS-Producing Respiratory Complex I by NADH-OH.
Angew.Chem.Int.Ed.Engl., 2021
5NS2
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BU of 5ns2 by Molmil
Cys-Gly dipeptidase GliJ in complex with Co2+
分子名称: CHLORIDE ION, COBALT (II) ION, Dipeptidase gliJ, ...
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5NS1
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BU of 5ns1 by Molmil
Cys-Gly dipeptidase GliJ in complex with Ni2+
分子名称: CHLORIDE ION, Dipeptidase gliJ, NICKEL (II) ION
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
4G28
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BU of 4g28 by Molmil
Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and EBIO-1
分子名称: 1-ethyl-1,3-dihydro-2H-benzimidazol-2-one, CALCIUM ION, Calmodulin, ...
著者Zhang, M, Pascal, J.M, Zhang, J.-F.
登録日2012-07-11
公開日2012-09-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Identification of the functional binding pocket for compounds targeting small-conductance Ca(2+)-activated potassium channels.
Nat Commun, 3, 2012
6SNL
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BU of 6snl by Molmil
(R)-selective amine transaminase from Exophiala sideris
分子名称: CHLORIDE ION, GLYCEROL, HEXAETHYLENE GLYCOL, ...
著者Telzerow, A, Hakansson, M, Steiner, K.
登録日2019-08-26
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.129 Å)
主引用文献Expanding the Toolbox of R-Selective Amine Transaminases by Identification and Characterization of New Members.
Chembiochem, 22, 2021
5NRZ
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BU of 5nrz by Molmil
Cys-Gly dipeptidase GliJ in complex with Mn2+
分子名称: CHLORIDE ION, Dipeptidase gliJ, GLYCEROL, ...
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5LWZ
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BU of 5lwz by Molmil
Cys-Gly dipeptidase GliJ (space group C2)
分子名称: Dipeptidase, FE (III) ION, GLYCEROL
著者Huber, E.M, Groll, M.
登録日2016-09-19
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5NRT
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BU of 5nrt by Molmil
Cys-Gly dipeptidase GliJ in complex with Ca2+
分子名称: CALCIUM ION, Dipeptidase gliJ, MAGNESIUM ION
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5NS5
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BU of 5ns5 by Molmil
Cys-Gly dipeptidase GliJ in complex with Cu2+ and Zn2+
分子名称: CHLORIDE ION, COPPER (II) ION, Dipeptidase gliJ, ...
著者Groll, M, Huber, E.M.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
4G27
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BU of 4g27 by Molmil
Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and phenylurea
分子名称: 1-phenylurea, CALCIUM ION, Calmodulin, ...
著者Zhang, M, Pascal, J.M, Zhang, J.-F.
登録日2012-07-11
公開日2012-09-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Identification of the functional binding pocket for compounds targeting small-conductance Ca(2+)-activated potassium channels.
Nat Commun, 3, 2012

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