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7S2J
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BU of 7s2j by Molmil
Crystal structure of sulfonamide resistance enzyme Sul2 apoenzyme
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors: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)
Deposit date:2021-09-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Nat Commun, 14, 2023
7S2K
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BU of 7s2k by Molmil
Crystal structure of sulfonamide resistance enzyme Sul2 in complex with 7,8-dihydropteroate, magnesium, and pyrophosphate
Descriptor: 4-AMINOBENZOIC ACID, 7,8-DIHYDROPTEROATE, CHLORIDE ION, ...
Authors: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)
Deposit date:2021-09-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.74 Å)
Cite: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
Descriptor: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
Authors: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)
Deposit date:2021-09-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.79 Å)
Cite: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
Descriptor: 9~{H}-purine, Chemotaxis protein CheA
Authors:Adhav, A, Marina, A.
Deposit date:2023-05-18
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 9-METHYL-9H-PURIN-6-AMINE, Chemotaxis protein CheA
Authors:Adhav, A, Marina, A.
Deposit date:2023-05-18
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Affilin variant Af1 (77405), COPPER (II) ION, IMIDAZOLE
Authors:Parthier, C, Katzschmann, A, Fiedler, E, Haupts, U, Reimann, A.
Deposit date:2023-06-15
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 7-(2-phenylethoxy)quinazolin-2-amine, Chemotaxis protein CheA
Authors:Adhav, A, Marina, A.
Deposit date:2023-05-23
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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)
Descriptor: Affilin variant Af2, Fibronectin, SULFATE ION
Authors:Parthier, C, Katzschmann, A, Fiedler, E, Haupts, U, Reimann, A.
Deposit date:2023-06-14
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.32 Å)
Cite: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
Descriptor: Regulator of telomere elongation helicase 1
Authors: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.
Deposit date:2023-06-01
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: CALCIUM ION, PENTAETHYLENE GLYCOL, Pyrimidine-specific ribonucleoside hydrolase RihA
Authors: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)
Deposit date:2014-10-22
Release date:2014-11-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: Phylloseptin-1
Authors: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.
Deposit date:2007-05-25
Release date:2008-06-03
Last modified:2023-12-20
Method:SOLUTION NMR
Cite: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
Descriptor: 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
Authors:Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-09-30
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.08 Å)
Cite: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
Descriptor: GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Nguyen, D, Heine, A, Klebe, G.
Deposit date:2020-10-18
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite: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
Descriptor: CEPHALOSPORIN ACYLASE, GLYCEROL
Authors:Fritz-Wolf, K, Koller, K.P, Lange, G, Liesum, A, Sauber, K, Schreuder, H, Aretz, W, Kabsch, W.
Deposit date:2001-08-07
Release date:2002-01-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BASEMENT MEMBRANE-SPECIFIC HEPARAN SULFATE PROTEOGLYCAN CORE PROTEIN, NIDOGEN-1, ...
Authors:Kvansakul, M, Hopf, M, Ries, A, Timpl, R, Hohenester, E.
Deposit date:2001-08-23
Release date:2001-11-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: GUANINE NUCLEOTIDE DISSOCIATION INHIBITOR
Authors:Schalk, I, Zeng, K, Wu, S.-K, Stura, E.A, Metteson, J, Huang, M, Tandon, A, Wilson, I.A, Balch, W.E.
Deposit date:1996-07-10
Release date:1997-02-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite: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
Descriptor: GLUTATHIONE, GLUTATHIONE S-TRANSFERASE CLASS PI
Authors:Parraga, A, Garcia-Saez, I, Coll, M.
Deposit date:1996-10-25
Release date:1997-11-19
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.44 Å)
Cite: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
Descriptor: GT-ALPHA/GI-ALPHA CHIMERA, GT-BETA, GT-GAMMA, ...
Authors:Lambright, D.G, Sondek, J, Bohm, A, Skiba, N.P, Hamm, H.E, Sigler, P.B.
Deposit date:1996-08-07
Release date:1997-03-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, CALCIUM ION, CYANIDE ION, ...
Authors:Henriksen, A, Smith, A.T, Gajhede, M.
Deposit date:1999-04-26
Release date:2000-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite: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
Descriptor: BETA-GLUCOSIDASE, SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Guasch, A, Perez-Pons, J.A, Vallmitjana, M, Querol, E, Coll, M.
Deposit date:2001-10-10
Release date:2002-10-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite: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
Descriptor: EPSILON, SULFATE ION, ZETA
Authors:Meinhart, A, Alonso, J.C, Straeter, N, Saenger, W.
Deposit date:2002-02-19
Release date:2003-01-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: ETHANOL, GLYCEROL, Ganglioside-induced differentiation-associated protein 1, ...
Authors:Nguyen, G.T.T, Sutinen, A, Kursula, P.
Deposit date:2020-09-26
Release date:2021-02-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Complete Dimeric Human GDAP1 Core Domain Provides Insights into Ligand Binding and Clustering of Disease Mutations.
Front Mol Biosci, 7, 2020
1H6U
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BU of 1h6u by Molmil
Internalin H: crystal structure of fused N-terminal domains.
Descriptor: INTERNALIN H
Authors:Schubert, W.-D, Gobel, G, Diepholz, M, Darji, A, Kloer, D, Hain, T, Chakraborty, T, Wehland, J, Domann, E, Heinz, D.W.
Deposit date:2001-06-25
Release date:2001-10-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Internalins from the human pathogen Listeria monocytogenes combine three distinct folds into a contiguous internalin domain.
J.Mol.Biol., 312, 2001
7AVX
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BU of 7avx by Molmil
MerTK kinase domain in complex with NPS-1034
Descriptor: 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
Authors: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.
Deposit date:2020-11-06
Release date:2021-03-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
7AVY
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BU of 7avy by Molmil
MerTK kinase domain in complex with quinazoline-based inhbitor
Descriptor: N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine, SULFATE ION, Tyrosine-protein kinase Mer
Authors: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.
Deposit date:2020-11-06
Release date:2021-03-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021

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数据于2024-08-07公开中

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