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2I69
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BU of 2i69 by Molmil
Crystal structure of the West Nile virus envelope glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Polyprotein
Authors:Kanai, R, Modis, Y.
Deposit date:2006-08-28
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Crystal structure of west nile virus envelope glycoprotein reveals viral surface epitopes.
J.Virol., 80, 2006
7VKO
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BU of 7vko by Molmil
Crystal structure of TrkA kinase with repotrectinib
Descriptor: Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor
Authors:Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A.
Deposit date:2021-09-30
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
7VKN
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BU of 7vkn by Molmil
Crystal structure of TrkA (G595R) kinase with repotrectinib
Descriptor: Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor
Authors:Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A.
Deposit date:2021-09-30
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
4BQE
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BU of 4bqe by Molmil
Arabidopsis thaliana Cytosolic Alpha-1,4-glucan Phosphorylase (PHS2)
Descriptor: ALPHA-GLUCAN PHOSPHORYLASE 2,4-GLUCAN PHOSPHORYLASE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:O'Neill, E.C, Rashid, A.M, Stevenson, C.E.M, Hetru, A.C, Gunning, A.P, Rejzek, M, Nepogodiev, S.A, Bornemann, S, Lawson, D.M, Field, R.A.
Deposit date:2013-05-30
Release date:2014-02-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Sugar-Coated Sensor Chip and Nanoparticle Surfaces for the in Vitro Enzymatic Synthesis of Starch-Like Materials
Chem.Sci., 5, 2014
5OXG
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BU of 5oxg by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with LDN-212854
Descriptor: 1,2-ETHANEDIOL, 5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Activin receptor type-1, ...
Authors:Williams, E.P, Sorrell, F.J, Kopec, J, Nowak, R.P, Kupinska, K, von Delft, F, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC)
Deposit date:2017-09-06
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural basis for the potent and selective binding of LDN-212854 to the BMP receptor kinase ALK2.
Bone, 109, 2018
5XN9
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BU of 5xn9 by Molmil
Crystal structure of a secretary abundant heat soluble (SAHS) protein from Ramazzottius varieornatus (from monomer sample)
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:Fukuda, Y, Miura, Y, Mizohata, E, Inoue, T.
Deposit date:2017-05-19
Release date:2017-07-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Structural insights into a secretory abundant heat-soluble protein from an anhydrobiotic tardigrade, Ramazzottius varieornatus
FEBS Lett., 591, 2017
5XNF
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BU of 5xnf by Molmil
Crystal structure of the branched-chain polyamine synthase (BpsA) from Thermococcus kodakarensis
Descriptor: FE (III) ION, GLYCEROL, N(4)-bis(aminopropyl)spermidine synthase, ...
Authors:Mizohata, E, Tse, K.M, Fujita, J, Inoue, T.
Deposit date:2017-05-22
Release date:2018-08-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Active site geometry of a novel aminopropyltransferase for biosynthesis of hyperthermophile-specific branched-chain polyamine.
FEBS J., 284, 2017
3LPG
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BU of 3lpg by Molmil
Structure of E. coli beta-Glucuronidase bound with a novel, potent inhibitor 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-((6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl)urea
Descriptor: 3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]urea, Beta-glucuronidase
Authors:Wallace, B.D, Redinbo, M.R.
Deposit date:2010-02-05
Release date:2010-11-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.425 Å)
Cite:Alleviating cancer drug toxicity by inhibiting a bacterial enzyme.
Science, 330, 2010
4BVU
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BU of 4bvu by Molmil
Structure of Shigella effector OspG in complex with host UbcH5c- Ubiquitin conjugate
Descriptor: PROTEIN KINASE OSPG, UBIQUITIN, UBIQUITIN-CONJUGATING ENZYME E2 D3
Authors:Pruneda, J.N, LeTrong, I, Stenkamp, R.E, Klevit, R.E, Brzovic, P.S.
Deposit date:2013-06-28
Release date:2014-01-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:E2~Ub Conjugates Regulate the Kinase Activity of Shigella Effector Ospg During Pathogenesis.
Embo J., 33, 2014
6RQX
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BU of 6rqx by Molmil
High-resolution crystal structure of ERAP1 in complex with 10mer phosphinic peptide
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Giastas, P, Stratikos, E.
Deposit date:2019-05-16
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Mechanism for antigenic peptide selection by endoplasmic reticulum aminopeptidase 1.
Proc.Natl.Acad.Sci.USA, 2019
5XK3
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BU of 5xk3 by Molmil
Crystal structure of apo form Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189
Descriptor: SULFATE ION, Undecaprenyl diphosphate synthase
Authors:Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
Deposit date:2017-05-05
Release date:2018-01-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
2YLB
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BU of 2ylb by Molmil
Structure of Salmonella typhimurium Hfq at 1.15 A
Descriptor: PROTEIN HFQ
Authors:Sauer, E, Weichenrieder, O.
Deposit date:2011-06-01
Release date:2011-07-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural Basis for RNA 3' End Recognition by Hfq
Proc.Natl.Acad.Sci.USA, 108, 2011
5DOG
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BU of 5dog by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-(Benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)thio]benzene- sulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2015-09-11
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
ChemMedChem, 12, 2017
5DOR
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BU of 5dor by Molmil
P2 Integrase catalytic domain in space group P21
Descriptor: Integrase, PHOSPHATE ION, ZINC ION
Authors:Skaar, K, Claesson, M, Odegrip, R, Haggard-Ljungquist, E, Hogbom, M.
Deposit date:2015-09-11
Release date:2015-12-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the bacteriophage P2 integrase catalytic domain.
Febs Lett., 589, 2015
1SNC
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BU of 1snc by Molmil
THE CRYSTAL STRUCTURE OF THE TERNARY COMPLEX OF STAPHYLOCOCCAL NUCLEASE, CA2+, AND THE INHIBITOR PD*TP, REFINED AT 1.65 ANGSTROMS
Descriptor: CALCIUM ION, THERMONUCLEASE PRECURSOR, THYMIDINE-3',5'-DIPHOSPHATE
Authors:Loll, P.J, Lattman, E.E.
Deposit date:1989-07-21
Release date:1990-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The crystal structure of the ternary complex of staphylococcal nuclease, Ca2+, and the inhibitor pdTp, refined at 1.65 A.
Proteins, 5, 1989
7DAA
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BU of 7daa by Molmil
Crystal structure of basigin complexed with anti-basigin Fab fragment
Descriptor: CADMIUM ION, Heavy chain of antibody Fab fragment, Isoform 2 of Basigin, ...
Authors:Sakuragi, T, Kanai, R, Narita, H, Onishi, E, Miyazaki, T, Baba, T, Nakagawa, A, Toyoshima, C, Nagata, S.
Deposit date:2020-10-16
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:The tertiary structure of the human Xkr8-Basigin complex that scrambles phospholipids at plasma membranes.
Nat.Struct.Mol.Biol., 28, 2021
1I9A
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BU of 1i9a by Molmil
STRUCTURAL STUDIES OF CHOLESTEROL BIOSYNTHESIS: MEVALONATE 5-DIPHOSPHATE DECARBOXYLASE AND ISOPENTENYL DIPHOSPHATE ISOMERASE
Descriptor: ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE, MANGANESE (II) ION
Authors:Bonanno, J.B, Edo, C, Eswar, N, Pieper, U, Romanowski, M.J, Ilyin, V, Gerchman, S.E, Kycia, H, Studier, F.W, Sali, A, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2001-03-18
Release date:2001-03-28
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural genomics of enzymes involved in sterol/isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 98, 2001
5X6K
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BU of 5x6k by Molmil
Crystal structure of adenylate kinase
Descriptor: BIS(ADENOSINE)-5'-PENTAPHOSPHATE, SULFATE ION, adenylate kinase isoenzyme 1
Authors:Moon, S, Bae, E.
Deposit date:2017-02-22
Release date:2018-02-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural analyses of adenylate kinases from Antarctic and tropical fishes for understanding cold adaptation of enzymes
Sci Rep, 7, 2017
8BX2
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BU of 8bx2 by Molmil
Oct4/Sox2 protein:DNA complex
Descriptor: POU domain, class 5, transcription factor 1, ...
Authors:Chojnowski, G, Wilmanns, M, Round, E.
Deposit date:2022-12-07
Release date:2023-12-20
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Crystal structure of Oct4-Soc2-UTF1 complex
To Be Published
6A77
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BU of 6a77 by Molmil
Crystal structure of the fifth immunoglobulin domain (Ig5) of human Robo1 in complex with the Fab fragment of murine monoclonal antibody B5209B
Descriptor: Heavy chain of the anti-human Robo1 antibody B5209B Fab, Light chain of the anti-human Robo1 antibody B5209B Fab, Roundabout homolog 1
Authors:Mizohata, E, Nakayama, T, Kado, Y, Inoue, T.
Deposit date:2018-07-02
Release date:2019-01-30
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Affinity Improvement of a Cancer-Targeted Antibody through Alanine-Induced Adjustment of Antigen-Antibody Interface.
Structure, 27, 2019
7DCE
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BU of 7dce by Molmil
Cryo-EM structure of human XKR8-basigin complex bound to Fab fragment
Descriptor: 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Heavy chain of Fab fragment, Isoform 2 of Basigin, ...
Authors:Sakuragi, T, Kanai, R, Tsutsumi, A, Narita, H, Onishi, E, Miyazaki, T, Baba, T, Nakagawa, A, Kikkawa, M, Toyoshima, C, Nagata, S.
Deposit date:2020-10-26
Release date:2021-10-20
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:The tertiary structure of the human Xkr8-Basigin complex that scrambles phospholipids at plasma membranes.
Nat.Struct.Mol.Biol., 28, 2021
2F6P
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BU of 2f6p by Molmil
BenM effector binding domain- SeMet derivative
Descriptor: ACETATE ION, HTH-type transcriptional regulator benM, SODIUM ION, ...
Authors:Clark, T, Haddad, S, Ezezika, O, Neidle, E, Momany, C.
Deposit date:2005-11-29
Release date:2006-10-31
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Distinct Effector-binding Sites Enable Synergistic Transcriptional Activation by BenM, a LysR-type Regulator.
J.Mol.Biol., 367, 2007
1IG3
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BU of 1ig3 by Molmil
Mouse Thiamin Pyrophosphokinase Complexed with Thiamin
Descriptor: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, SULFATE ION, thiamin pyrophosphokinase
Authors:Timm, D.E, Liu, J, Baker, L.-J, Harris, R.A.
Deposit date:2001-04-16
Release date:2001-04-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of thiamin pyrophosphokinase.
J.Mol.Biol., 310, 2001
4ODN
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BU of 4odn by Molmil
Structure of SlyD from Thermus thermophilus in complex with S2-plus peptide
Descriptor: 30S ribosomal protein S2, CHLORIDE ION, GLYCEROL, ...
Authors:Quistgaard, E.M, Low, C, Nordlund, P.
Deposit date:2014-01-10
Release date:2015-01-14
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Molecular insights into substrate recognition and catalytic mechanism of the chaperone and FKBP peptidyl-prolyl isomerase SlyD.
BMC Biol., 14, 2016
1ENC
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BU of 1enc by Molmil
CRYSTAL STRUCTURES OF THE BINARY CA2+ AND PDTP COMPLEXES AND THE TERNARY COMPLEX OF THE ASP 21->GLU MUTANT OF STAPHYLOCOCCAL NUCLEASE. IMPLICATIONS FOR CATALYSIS AND LIGAND BINDING
Descriptor: CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE
Authors:Libson, A, Gittis, A, Lattman, E.E.
Deposit date:1994-02-14
Release date:1994-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of the binary Ca2+ and pdTp complexes and the ternary complex of the Asp21-->Glu mutant of staphylococcal nuclease. Implications for catalysis and ligand binding.
Biochemistry, 33, 1994

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