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7S2J
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BU of 7s2j by Molmil
Crystal structure of sulfonamide resistance enzyme Sul2 apoenzyme
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Stogios, P.J, Skarina, T, Michalska, K, Venkatesan, M, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-09-03
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Nat Commun, 14, 2023
7S2K
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Crystal structure of sulfonamide resistance enzyme Sul2 in complex with 7,8-dihydropteroate, magnesium, and pyrophosphate
分子名称: 4-AMINOBENZOIC ACID, 7,8-DIHYDROPTEROATE, CHLORIDE ION, ...
著者Stogios, P.J, Skarina, T, Michalska, K, Venkatesan, M, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-09-03
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Nat Commun, 14, 2023
7S2L
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BU of 7s2l by Molmil
Crystal structure of sulfonamide resistance enzyme Sul3 apoenzyme
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Stogios, P.J, Venkatesan, M, Michalska, K, Mesa, N, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-09-03
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Nat Commun, 14, 2023
8P3R
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BU of 8p3r by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK4
分子名称: 9~{H}-purine, Chemotaxis protein CheA
著者Adhav, A, Marina, A.
登録日2023-05-18
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK4
To Be Published
8P3N
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BU of 8p3n by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK8
分子名称: 9-METHYL-9H-PURIN-6-AMINE, Chemotaxis protein CheA
著者Adhav, A, Marina, A.
登録日2023-05-18
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK8
To Be Published
8PF0
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BU of 8pf0 by Molmil
Diubiquitin-derived artificial binding protein (Affilin) variant Af1 specific to oncofetal fibronectin
分子名称: Affilin variant Af1 (77405), COPPER (II) ION, IMIDAZOLE
著者Parthier, C, Katzschmann, A, Fiedler, E, Haupts, U, Reimann, A.
登録日2023-06-15
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Ubiquitin-derived artificial binding proteins targeting oncofetal fibronectin reveal scaffold plasticity by beta-strand slippage
to be published
8P59
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BU of 8p59 by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-333
分子名称: 7-(2-phenylethoxy)quinazolin-2-amine, Chemotaxis protein CheA
著者Adhav, A, Marina, A.
登録日2023-05-23
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-333
To Be Published
8PEQ
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BU of 8peq by Molmil
Complex of diubiquitin-derived artificial binding protein (Affilin) variant Af2 with its target oncofetal fibronectin (fragment 7B8)
分子名称: Affilin variant Af2, Fibronectin, SULFATE ION
著者Parthier, C, Katzschmann, A, Fiedler, E, Haupts, U, Reimann, A.
登録日2023-06-14
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Ubiquitin-derived artificial binding proteins targeting oncofetal fibronectin reveal scaffold plasticity by beta-strand slippage
to be published
8P8H
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BU of 8p8h by Molmil
Crystal structure of HHD2 domain of hRTEL1
分子名称: Regulator of telomere elongation helicase 1
著者Hegde, R.P, Kanade, M, Cortone, G, Graewert, M, Longo, A, Gonzalez, A, Chaves-Arquero, B, Blanco, F.J, Napolitano, L.M.R, Onesti, S.
登録日2023-06-01
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of HHD2 domain of hRTEL1
To Be Published
4WR2
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BU of 4wr2 by Molmil
Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site
分子名称: CALCIUM ION, PENTAETHYLENE GLYCOL, Pyrimidine-specific ribonucleoside hydrolase RihA
著者Himmel, D.M, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R.D, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-10-22
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site
To be published
2JQ0
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BU of 2jq0 by Molmil
Phylloseptin-1
分子名称: Phylloseptin-1
著者Resende, J.M, Mendonca Moraes, C, Almeida, F.C.L, Prates, M.V, Cesar, A, Valente, A, Bemquerer, M.P, Pilo-Veloso, D, Bechinger, B.
登録日2007-05-25
公開日2008-06-03
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Solution NMR structures of the antimicrobial peptides phylloseptin-1, -2, and -3 and biological activity: The role of charges and hydrogen bonding interactions in stabilizing helix conformations
Peptides, 29, 2008
7AKG
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BU of 7akg by Molmil
Crystal structure of STK17B with bound dovitinib
分子名称: 1,2-ETHANEDIOL, 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, Serine/threonine-protein kinase 17B
著者Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-09-30
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
7APL
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BU of 7apl by Molmil
tRNA-guanine transglycosylase G87C mutant spin-labeled with MTSL
分子名称: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
著者Nguyen, D, Heine, A, Klebe, G.
登録日2020-10-18
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Unraveling a Ligand-Induced Twist of a Homodimeric Enzyme by Pulsed Electron-Electron Double Resonance.
Angew.Chem.Int.Ed.Engl., 60, 2021
1GK1
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BU of 1gk1 by Molmil
Structure-based prediction of modifications in glutarylamidase to allow single-step enzymatic production of 7-aminocephalosporanic acid from cephalosporin C
分子名称: CEPHALOSPORIN ACYLASE, GLYCEROL
著者Fritz-Wolf, K, Koller, K.P, Lange, G, Liesum, A, Sauber, K, Schreuder, H, Aretz, W, Kabsch, W.
登録日2001-08-07
公開日2002-01-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Based Prediction of Modifications in Glutarylamidase to Allow Single-Step Enzymatic Production of 7-Aminocephalosporanic Acid from Cephalosporin C.
Protein Sci., 11, 2002
1GL4
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BU of 1gl4 by Molmil
Nidogen-1 G2/Perlecan IG3 Complex
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BASEMENT MEMBRANE-SPECIFIC HEPARAN SULFATE PROTEOGLYCAN CORE PROTEIN, NIDOGEN-1, ...
著者Kvansakul, M, Hopf, M, Ries, A, Timpl, R, Hohenester, E.
登録日2001-08-23
公開日2001-11-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the High-Affinity Interaction of Nidogen-1 with Immunoglobulin-Like Domain 3 of Perlecan
Embo J., 20, 2001
1GND
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BU of 1gnd by Molmil
GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR, ALPHA-ISOFORM
分子名称: GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR
著者Schalk, I, Zeng, K, Wu, S.-K, Stura, E.A, Metteson, J, Huang, M, Tandon, A, Wilson, I.A, Balch, W.E.
登録日1996-07-10
公開日1997-02-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure and mutational analysis of Rab GDP-dissociation inhibitor.
Nature, 381, 1996
1GSY
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BU of 1gsy by Molmil
GLUTATHIONE S-TRANSFERASE YFYF, CLASS PI, COMPLEXED WITH GLUTATHIONE
分子名称: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE CLASS PI
著者Parraga, A, Garcia-Saez, I, Coll, M.
登録日1996-10-25
公開日1997-11-19
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献The three-dimensional structure of a class-Pi glutathione S-transferase complexed with glutathione: the active-site hydration provides insights into the reaction mechanism.
Biochem.J., 333 ( Pt 3), 1998
1GOT
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BU of 1got by Molmil
HETEROTRIMERIC COMPLEX OF A GT-ALPHA/GI-ALPHA CHIMERA AND THE GT-BETA-GAMMA SUBUNITS
分子名称: GT-ALPHA/GI-ALPHA CHIMERA, GT-BETA, GT-GAMMA, ...
著者Lambright, D.G, Sondek, J, Bohm, A, Skiba, N.P, Hamm, H.E, Sigler, P.B.
登録日1996-08-07
公開日1997-03-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The 2.0 A crystal structure of a heterotrimeric G protein.
Nature, 379, 1996
7ATJ
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BU of 7atj by Molmil
RECOMBINANT HORSERADISH PEROXIDASE C1A COMPLEX WITH CYANIDE AND FERULIC ACID
分子名称: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, CALCIUM ION, CYANIDE ION, ...
著者Henriksen, A, Smith, A.T, Gajhede, M.
登録日1999-04-26
公開日2000-01-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献The structures of the horseradish peroxidase C-ferulic acid complex and the ternary complex with cyanide suggest how peroxidases oxidize small phenolic substrates.
J.Biol.Chem., 274, 1999
1GNX
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BU of 1gnx by Molmil
b-glucosidase from Streptomyces sp
分子名称: BETA-GLUCOSIDASE, SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Guasch, A, Perez-Pons, J.A, Vallmitjana, M, Querol, E, Coll, M.
登録日2001-10-10
公開日2002-10-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Beta-Glucosidase from Streptomyces
To be Published
1GVN
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BU of 1gvn by Molmil
Crystal Structure of the Plasmid Maintenance System epsilon/zeta: Meachnism of toxin inactivation and toxin function
分子名称: EPSILON, SULFATE ION, ZETA
著者Meinhart, A, Alonso, J.C, Straeter, N, Saenger, W.
登録日2002-02-19
公開日2003-01-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of the Plasmid Maintenance System Epsilon /Zeta : Functional Mechanism of Toxin Zeta and Inactivation by Epsilon 2 Zeta 2 Complex Formation
Proc.Natl.Acad.Sci.USA, 100, 2003
7AIA
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BU of 7aia by Molmil
Complex of human GDAP1 with hexadecanedioic acid
分子名称: ETHANOL, GLYCEROL, Ganglioside-induced differentiation-associated protein 1, ...
著者Nguyen, G.T.T, Sutinen, A, Kursula, P.
登録日2020-09-26
公開日2021-02-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the Complete Dimeric Human GDAP1 Core Domain Provides Insights into Ligand Binding and Clustering of Disease Mutations.
Front Mol Biosci, 7, 2020
7AVX
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BU of 7avx by Molmil
MerTK kinase domain in complex with NPS-1034
分子名称: 1-(4-fluorophenyl)-N-[3-fluoro-4-[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide, Tyrosine-protein kinase Mer
著者Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S.
登録日2020-11-06
公開日2021-03-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
1H6U
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BU of 1h6u by Molmil
Internalin H: crystal structure of fused N-terminal domains.
分子名称: INTERNALIN H
著者Schubert, W.-D, Gobel, G, Diepholz, M, Darji, A, Kloer, D, Hain, T, Chakraborty, T, Wehland, J, Domann, E, Heinz, D.W.
登録日2001-06-25
公開日2001-10-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Internalins from the human pathogen Listeria monocytogenes combine three distinct folds into a contiguous internalin domain.
J.Mol.Biol., 312, 2001
7AVY
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BU of 7avy by Molmil
MerTK kinase domain in complex with quinazoline-based inhbitor
分子名称: N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine, SULFATE ION, Tyrosine-protein kinase Mer
著者Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S.
登録日2020-11-06
公開日2021-03-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021

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