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5WT9
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BU of 5wt9 by Molmil
Complex structure of PD-1 and nivolumab-Fab
Descriptor: 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, ...
Authors: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.
Deposit date:2016-12-10
Release date:2017-02-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.401 Å)
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Glycoside hydrolase, ...
Authors: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.
Deposit date:2013-04-24
Release date:2014-02-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.76 Å)
Cite: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
Descriptor: PROTEIN (INTERFERON-INDUCED GUANYLATE-BINDING PROTEIN 1)
Authors:Prakash, B, Praefcke, G.J.K, Renault, L, Wittinghofer, A, Herrmann, C.
Deposit date:1999-11-23
Release date:2000-10-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human guanylate-binding protein 1 representing a unique class of GTP-binding proteins.
Nature, 403, 2000
3W58
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BU of 3w58 by Molmil
Crystal structure of Galectin-1 in the lactose-unbound state(P21)
Descriptor: BETA-MERCAPTOETHANOL, GLYCEROL, Galectin-1, ...
Authors:Saburi, H, Tanaka, T, Kunishima, N.
Deposit date:2013-01-25
Release date:2014-01-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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
Descriptor: 1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane, Proteasome component C1, Proteasome component C11, ...
Authors: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.
Deposit date:2012-04-25
Release date:2013-05-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.509 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Pandey, N, Kushwaha, G.S, Sinha, M, Kaur, P, Betzel, C, Sharma, S, Singh, T.P.
Deposit date:2010-05-15
Release date:2010-06-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, TAZOBACTAM TRANS-ENAMINE INTERMEDIATE
Authors: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.
Deposit date:2003-11-04
Release date:2004-02-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite: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
Descriptor: 1-(beta-D-glucopyranosyl)-5-(pent-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
Authors:Kantsadi, A.L, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2012-04-10
Release date:2012-07-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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)
Descriptor: ACETONITRILE, Actinohivin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
Authors: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.
Deposit date:2012-04-13
Release date:2013-07-17
Last modified:2025-08-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine, CHLORIDE ION, GLYCEROL, ...
Authors:Palcic, M.M, Jorgensen, R.
Deposit date:2011-09-29
Release date:2012-10-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ETHANOL, Pantothenate synthetase, ...
Authors:Silvestre, H.L, Blundell, T.L.
Deposit date:2013-09-21
Release date:2014-08-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite: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
Descriptor: Syntaxin-binding protein 1
Authors:Wang, X.P, Gong, J.H, Wang, S, Zhu, L, Yang, X.Y, Xu, Y.Y, Yang, X.F, Ma, C.
Deposit date:2020-01-09
Release date:2020-07-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.402 Å)
Cite: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
Descriptor: Analogue of RT-RH pol protease substrate peptide, PROTEASE RETROPEPSIN
Authors:Prabu-Jeyabalan, M, Nalivaika, E, Schiffer, C.A.
Deposit date:2006-11-17
Release date:2007-09-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: Fructose-1,6-bisphosphatase class 1, PHOSPHATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-22
Release date:2020-10-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 1-cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea, ACETATE ION, CHLORIDE ION, ...
Authors:Su, H.P.
Deposit date:2014-05-22
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: CALCIUM ION, MAGNESIUM ION, METALLO-BETA-LACTAMASE AIM-1, ...
Authors:Leiros, H.-K.S, Borra, P.S, Brandsdal, B.O, Edvardsen, K.S.W, Spencer, J, Walsh, T.R, Samuelsen, O.
Deposit date:2012-06-06
Release date:2012-06-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
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
Descriptor: ACETATE ION, L-rhamnose-alpha-1,4-D-glucuronate lyase, SODIUM ION, ...
Authors:Kondo, T, Arakawa, T, Fushinobu, S, Sakamoto, T.
Deposit date:2021-05-11
Release date:2021-08-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: Baseplate protein (BPP)
Authors:Spinelli, S, Lichiere, J, Blangy, S, Sciara, G, Cambillau, C, Campanacci, V.
Deposit date:2008-09-18
Release date:2009-10-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and molecular assignment of lactococcal phage TP901-1 baseplate.
J.Biol.Chem., 285, 2010
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)
Descriptor: BENZO[B]THIOPHENE-2-BORONIC ACID, TOHO-1 BETA-LACTAMASE
Authors:Tomanicek, S.J, Weiss, K.L, Standaert, R.F, Ostermann, A, Schrader, T.E, Ng, J.D, Coates, L.
Deposit date:2012-10-04
Release date:2013-01-16
Last modified:2024-11-13
Method:NEUTRON DIFFRACTION (2.002 Å)
Cite: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
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
Descriptor: CALCIUM ION, L-Rhamnose-alpha-1,4-D-glucuronate lyase, SODIUM ION, ...
Authors:Kondo, T, Arakawa, T, Fushinobu, S, Sakamoto, T.
Deposit date:2021-05-11
Release date:2021-08-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.05 Å)
Cite: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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BU of 1avb by Molmil
ARCELIN-1 FROM PHASEOLUS VULGARIS L
Descriptor: 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, ...
Authors:Mourey, L, Pedelacq, J.D, Fabre, C, Rouge, P, Samama, J.P.
Deposit date:1997-09-15
Release date:1998-10-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, ACETATE ION, Protease
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2008-09-19
Release date:2009-09-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
1G8T
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BU of 1g8t by Molmil
SM ENDONUCLEASE FROM SERATIA MARCENSCENS AT 1.1 A RESOLUTION
Descriptor: MAGNESIUM ION, NUCLEASE SM2 ISOFORM, SULFATE ION
Authors:Lunin, V.V, Perbandt, M, Betzel, C.H, Mikhailov, A.M.
Deposit date:2000-11-21
Release date:2000-12-06
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.1 Å)
Cite: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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BU of 4gg2 by Molmil
The crystal structure of glutamate-bound human gamma-glutamyltranspeptidase 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ...
Authors:West, M.B, Chen, Y, Wickham, S, Heroux, A, Cahill, K, Hanigan, M.H, Mooers, B.H.M.
Deposit date:2012-08-04
Release date:2013-09-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.21 Å)
Cite: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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BU of 3rmw by Molmil
Crystal Structure of Human Glycogenin-1 (GYG1) T83M mutant complexed with manganese and UDP-glucose
Descriptor: 1,2-ETHANEDIOL, Glycogenin-1, MAGNESIUM ION, ...
Authors: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)
Deposit date:2011-04-21
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Conformational plasticity of glycogenin and its maltosaccharide substrate during glycogen biogenesis.
Proc.Natl.Acad.Sci.USA, 108, 2011

243531

數據於2025-10-22公開中

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