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5WT9
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BU of 5wt9 by Molmil
Complex structure of PD-1 and nivolumab-Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Nivolumab, Light Chain of Nivolumab, ...
著者Tan, S, Zhang, H, Chai, Y, Song, H, Tong, Z, Wang, Q, Qi, J, Wong, G, Zhu, X, Liu, W.J, Gao, S, Wang, Z, Shi, Y, Yang, F, Gao, G.F, Yan, J.
登録日2016-12-10
公開日2017-02-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献An unexpected N-terminal loop in PD-1 dominates binding by nivolumab.
Nat Commun, 8, 2017
4KC8
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BU of 4kc8 by Molmil
Crystal Structure of Endo-1,5-alpha-L-arabinanase from Thermotoga petrophila RKU-1 in complex with TRIS
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Glycoside hydrolase, ...
著者Nascimento, A.F.Z, Polo, C.C, Santos, C.R, Costa, M.C.M.F, Mesa, A.N, Prade, R.A, Ruller, R, Squina, F.M, Murakami, M.T.
登録日2013-04-24
公開日2014-02-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Mechanistic strategies for catalysis adopted by evolutionary distinct family 43 arabinanases.
J.Biol.Chem., 289, 2014
1DG3
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BU of 1dg3 by Molmil
STRUCTURE OF HUMAN GUANYLATE BINDING PROTEIN-1 IN NUCLEOTIDE FREE FORM
分子名称: PROTEIN (INTERFERON-INDUCED GUANYLATE-BINDING PROTEIN 1)
著者Prakash, B, Praefcke, G.J.K, Renault, L, Wittinghofer, A, Herrmann, C.
登録日1999-11-23
公開日2000-10-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of human guanylate-binding protein 1 representing a unique class of GTP-binding proteins.
Nature, 403, 2000
3W58
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Crystal structure of Galectin-1 in the lactose-unbound state(P21)
分子名称: BETA-MERCAPTOETHANOL, GLYCEROL, Galectin-1, ...
著者Saburi, H, Tanaka, T, Kunishima, N.
登録日2013-01-25
公開日2014-01-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of Galectin-1 in the lactose-unbound state
To be Published
4EU2
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BU of 4eu2 by Molmil
Crystal structure of 20s proteasome with novel inhibitor K-7174
分子名称: 1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane, Proteasome component C1, Proteasome component C11, ...
著者Kikuchi, J, Shibayama, N, Yamada, S, Wada, T, Nobuyoshi, M, Izumi, T, Akutsu, M, Kano, Y, Ohki, M, Sugiyama, K, Park, S.-Y, Furukawa, Y.
登録日2012-04-25
公開日2013-05-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.509 Å)
主引用文献Homopiperazine derivatives as a novel class of proteasome inhibitors with a unique mode of proteasome binding.
Plos One, 8, 2013
3N1D
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BU of 3n1d by Molmil
Crystal structure of the complex of type I ribosome inactivating protein with ribose at 1.7A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Pandey, N, Kushwaha, G.S, Sinha, M, Kaur, P, Betzel, C, Sharma, S, Singh, T.P.
登録日2010-05-15
公開日2010-06-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the complex of type I ribosome inactivating protein with ribose at 1.7A resolution
To be Published
1RCJ
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BU of 1rcj by Molmil
Crystal structure of E166A mutant of SHV-1 beta-lactamase with the trans-enamine intermediate of tazobactam
分子名称: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, TAZOBACTAM TRANS-ENAMINE INTERMEDIATE
著者Padayatti, P.S, Helfand, M.S, Totir, M.A, Carey, M.P, Hujer, A.M, Carey, P.R, Bonomo, R.A, van den Akker, F.
登録日2003-11-04
公開日2004-02-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Tazobactam Forms a Stoichiometric trans-Enamine Intermediate in the E166A Variant of SHV-1 beta-Lactamase: 1.63 A Crystal Structure
Biochemistry, 43, 2004
4EKY
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BU of 4eky by Molmil
Crystal structure of GPb in complex with DK15
分子名称: 1-(beta-D-glucopyranosyl)-5-(pent-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
著者Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D.
登録日2012-04-10
公開日2012-07-25
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: Synthesis, biochemical and biological assessment.
Eur.J.Med.Chem., 54, 2012
4END
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BU of 4end by Molmil
Crystal structure of anti-HIV actinohivin in complex with alpha-1,2-mannobiose (P 2 21 21 form)
分子名称: ACETONITRILE, Actinohivin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
著者Hoque, M.M, Suzuki, K, Tsunoda, M, Jiang, J, Zhang, F, Takahashi, A, Naomi, O, Zhang, X, Sekiguchi, T, Tanaka, H, Omura, S, Takenaka, A.
登録日2012-04-13
公開日2013-07-17
最終更新日2025-08-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Peculiarity in crystal packing of anti-HIV lectin actinohivin in complex with alpha (1-2)mannobiose.
Acta Crystallogr.,Sect.D, 69, 2013
3U0X
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BU of 3u0x by Molmil
Crystal structure of the B-specific-1,3-galactosyltransferase (GTB) in complex with compound 382
分子名称: 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine, CHLORIDE ION, GLYCEROL, ...
著者Palcic, M.M, Jorgensen, R.
登録日2011-09-29
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A novel compound from a molecular fragment library screen inhibits glycosyltransferases by displacing the metal ion and interfering with substrate binding
To be Published
4MUH
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BU of 4muh by Molmil
Crystal structure of pantothenate synthetase in complex with 2-(2-(5-acetamido-1,3,4-thiadiazol-2-ylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid
分子名称: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
著者Silvestre, H.L, Blundell, T.L.
登録日2013-09-21
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Optimization of Inhibitors of Mycobacterium tuberculosis Pantothenate Synthetase Based on Group Efficiency Analysis.
Chemmedchem, 11, 2016
6LPC
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BU of 6lpc by Molmil
Crystal Structure of rat Munc18-1 with K332E/K333E mutation
分子名称: Syntaxin-binding protein 1
著者Wang, X.P, Gong, J.H, Wang, S, Zhu, L, Yang, X.Y, Xu, Y.Y, Yang, X.F, Ma, C.
登録日2020-01-09
公開日2020-07-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.402 Å)
主引用文献Munc13 activates the Munc18-1/syntaxin-1 complex and enables Munc18-1 to prime SNARE assembly.
Embo J., 39, 2020
2NXM
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BU of 2nxm by Molmil
Structure of HIV-1 protease D25N complexed with the rt-rh analogue peptide GLY-ALA-GLN-THR-PHE*TYR-VAL-ASP-GLY-ALA
分子名称: Analogue of RT-RH pol protease substrate peptide, PROTEASE RETROPEPSIN
著者Prabu-Jeyabalan, M, Nalivaika, E, Schiffer, C.A.
登録日2006-11-17
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Computational design and experimental study of tighter binding peptides to an inactivated mutant of HIV-1 protease
Proteins, 70, 2007
7K74
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BU of 7k74 by Molmil
Crystal Structure of Fructose-1,6-bisphosphatase, type I, from Stenotrophomonas maltophilia K279a
分子名称: Fructose-1,6-bisphosphatase class 1, PHOSPHATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-22
公開日2020-10-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of Fructose-1,6-bisphosphatase, type I, from Stenotrophomonas maltophilia K279a
to be published
4PMP
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BU of 4pmp by Molmil
The structure of TrkA kinase bound to the inhibitor 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea
分子名称: 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea, ACETATE ION, CHLORIDE ION, ...
著者Su, H.P.
登録日2014-05-22
公開日2014-06-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.
J.Med.Chem., 57, 2014
4AWZ
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BU of 4awz by Molmil
Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from Pseudomonas aeruginosa: Insights into Antibiotic Binding and the role of Gln157
分子名称: CALCIUM ION, MAGNESIUM ION, METALLO-BETA-LACTAMASE AIM-1, ...
著者Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O.
登録日2012-06-06
公開日2012-06-20
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157.
Antimicrob.Agents Chemother., 56, 2012
4BD1
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BU of 4bd1 by Molmil
Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB)
分子名称: BENZO[B]THIOPHENE-2-BORONIC ACID, TOHO-1 BETA-LACTAMASE
著者Tomanicek, S.J, Weiss, K.L, Standaert, R.F, Ostermann, A, Schrader, T.E, Ng, J.D, Coates, L.
登録日2012-10-04
公開日2013-01-16
最終更新日2024-11-13
実験手法NEUTRON DIFFRACTION (2.002 Å)
主引用文献Neutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction.
J.Biol.Chem., 288, 2013
7ESM
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BU of 7esm by Molmil
Crystal structure of a L-rhamnose-alpha-1,4-D-glucuronate lyase from Fusarium oxysporum 12S, L-Rha complex
分子名称: ACETATE ION, L-rhamnose-alpha-1,4-D-glucuronate lyase, SODIUM ION, ...
著者Kondo, T, Arakawa, T, Fushinobu, S, Sakamoto, T.
登録日2021-05-11
公開日2021-08-04
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and functional analysis of gum arabic l-rhamnose-alpha-1,4-d-glucuronate lyase establishes a novel polysaccharide lyase family.
J.Biol.Chem., 297, 2021
3EJC
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BU of 3ejc by Molmil
Full length Receptor Binding Protein from Lactococcal phage TP901-1
分子名称: Baseplate protein (BPP)
著者Spinelli, S, Lichiere, J, Blangy, S, Sciara, G, Cambillau, C, Campanacci, V.
登録日2008-09-18
公開日2009-10-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and molecular assignment of lactococcal phage TP901-1 baseplate.
J.Biol.Chem., 285, 2010
7ESK
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BU of 7esk by Molmil
Crystal structure of a L-rhamnose-alpha-1,4-D-glucuronate lyase from Fusarium oxysporum 12S, Ligand free form
分子名称: CALCIUM ION, L-Rhamnose-alpha-1,4-D-glucuronate lyase, SODIUM ION, ...
著者Kondo, T, Arakawa, T, Fushinobu, S, Sakamoto, T.
登録日2021-05-11
公開日2021-08-04
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structural and functional analysis of gum arabic l-rhamnose-alpha-1,4-d-glucuronate lyase establishes a novel polysaccharide lyase family.
J.Biol.Chem., 297, 2021
1AVB
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ARCELIN-1 FROM PHASEOLUS VULGARIS L
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARCELIN-1, ...
著者Mourey, L, Pedelacq, J.D, Fabre, C, Rouge, P, Samama, J.P.
登録日1997-09-15
公開日1998-10-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the arcelin-1 dimer from Phaseolus vulgaris at 1.9-A resolution.
J.Biol.Chem., 273, 1998
3EKX
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BU of 3ekx by Molmil
Crystal structure of the wild-type HIV-1 protease with the inhibitor, Nelfinavir
分子名称: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, ACETATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2008-09-19
公開日2009-09-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
1G8T
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SM ENDONUCLEASE FROM SERATIA MARCENSCENS AT 1.1 A RESOLUTION
分子名称: MAGNESIUM ION, NUCLEASE SM2 ISOFORM, SULFATE ION
著者Lunin, V.V, Perbandt, M, Betzel, C.H, Mikhailov, A.M.
登録日2000-11-21
公開日2000-12-06
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic structure of the Serratia marcescens endonuclease at 1.1 A resolution and the enzyme reaction mechanism.
Acta Crystallogr.,Sect.D, 56, 2000
4GG2
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The crystal structure of glutamate-bound human gamma-glutamyltranspeptidase 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ...
著者West, M.B, Chen, Y, Wickham, S, Heroux, A, Cahill, K, Hanigan, M.H, Mooers, B.H.M.
登録日2012-08-04
公開日2013-09-25
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Novel Insights into Eukaryotic gamma-Glutamyltranspeptidase 1 from the Crystal Structure of the Glutamate-bound Human Enzyme.
J.Biol.Chem., 288, 2013
3RMW
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Crystal Structure of Human Glycogenin-1 (GYG1) T83M mutant complexed with manganese and UDP-glucose
分子名称: 1,2-ETHANEDIOL, Glycogenin-1, MAGNESIUM ION, ...
著者Chaikuad, A, Froese, D.S, Yue, W.W, Krysztofinska, E, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2011-04-21
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Conformational plasticity of glycogenin and its maltosaccharide substrate during glycogen biogenesis.
Proc.Natl.Acad.Sci.USA, 108, 2011

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