6CXE
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![BU of 6cxe by Molmil](/molmil-images/mine/6cxe) | Structure of alpha-GSA[26,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Wang, J, Zajonc, D. | Deposit date: | 2018-04-02 | Release date: | 2019-04-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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6G6R
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![BU of 6g6r by Molmil](/molmil-images/mine/6g6r) | Human Methionine Adenosyltransferase II with SAMe and PPNP | Descriptor: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Panmanee, J, Antonyuk, S.V, Hasnain, S.S. | Deposit date: | 2018-04-02 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds. Febs J., 286, 2019
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5K0R
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![BU of 5k0r by Molmil](/molmil-images/mine/5k0r) | Crystal structure of reduced Shewanella Yellow Enzyme 4 (SYE4) | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, NAD(P)H:flavin oxidoreductase Sye4, Octadecane | Authors: | Elegheert, J, Brige, A, Savvides, S.N. | Deposit date: | 2016-05-17 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural dissection of Shewanella oneidensis old yellow enzyme 4 bound to a Meisenheimer complex and (nitro)phenolic ligands. FEBS Lett., 591, 2017
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4J2H
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![BU of 4j2h by Molmil](/molmil-images/mine/4j2h) | Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708) | Descriptor: | 1,2-ETHANEDIOL, PENTAETHYLENE GLYCOL, SODIUM ION, ... | Authors: | Sampathkumar, P, Gizzi, A, Ahmed, M, Banu, N, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Fiser, A, Glenn, A.S, Hammonds, J, Hillerich, B, Khafizov, K, Lafleur, J, Love, J.D, Stead, M, Seidel, R, Toro, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-02-04 | Release date: | 2013-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of a putative short-chain alcohol dehydrogenase from Sinorhizobium meliloti 1021 (Target NYSGRC-011708) to be published
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2Q3H
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![BU of 2q3h by Molmil](/molmil-images/mine/2q3h) | The crystal structure of RhouA in the GDP-bound state. | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras homolog gene family, ... | Authors: | Gileadi, C, Yang, X, Papagrigoriou, E, Elkins, J, Zhao, Y, Bray, J, Gileadi, O, Umeano, C, Ugochukwu, E, Uppenberg, J, Bunkoczi, G, von Delft, F, Pike, A.C.W, Phillips, C, Savitsky, P, Fedorov, O, Edwards, A, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2007-05-30 | Release date: | 2007-06-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | The crystal structure of RhouA in the GDP-bound state. To be Published
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5GQ1
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![BU of 5gq1 by Molmil](/molmil-images/mine/5gq1) | Crystal structure of 2C helicase from enterovirus 71 (EV71) | Descriptor: | Genome polyprotein, PHOSPHATE ION, ZINC ION | Authors: | Guan, H.X, Tian, J, Qin, B, Wojdyla, J, Wang, M.T, Cui, S. | Deposit date: | 2016-08-05 | Release date: | 2017-05-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.493 Å) | Cite: | Crystal structure of 2C helicase from enterovirus 71 SCI ADV, 3, 2017
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1ZSD
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![BU of 1zsd by Molmil](/molmil-images/mine/1zsd) | Crystal Structure Of HLA-B*3501 Presenting an 11-Mer EBV Antigen EPLPQGQLTAY | Descriptor: | BZLF1 trans-activator protein, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Miles, J.J, Elhassen, D, Borg, N.A, Silins, S.L, Tynan, F.E, Burrows, J.M, Purcell, A.W, Kjer-Nielsen, L, Rossjohn, J, Burrows, S.R, McCluskey, J. | Deposit date: | 2005-05-24 | Release date: | 2005-06-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | CTL Recognition of a Bulged Viral Peptide Involves Biased TCR Selection. J.Immunol., 175, 2005
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6CXA
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![BU of 6cxa by Molmil](/molmil-images/mine/6cxa) | |
1ZTQ
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![BU of 1ztq by Molmil](/molmil-images/mine/1ztq) | Crystal structure of the catalytic domain of MMP-13 complexed with WAY-033 | Descriptor: | CALCIUM ION, Collagenase 3, N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]-1,1'-BIPHENYL-4-YL}SULFONYL)-L-VALINE, ... | Authors: | Wu, J, Rush III, T.S, Hotchandani, R, Du, X, Geck, M, Collins, E, Xu, Z.B, Skotnicki, J, Levin, J.I, Lovering, F. | Deposit date: | 2005-05-27 | Release date: | 2006-05-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of potent and selective MMP-13 inhibitors Bioorg.Med.Chem.Lett., 15, 2005
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1ZPV
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![BU of 1zpv by Molmil](/molmil-images/mine/1zpv) | ACT domain protein from Streptococcus pneumoniae | Descriptor: | ACT domain protein, POTASSIUM ION | Authors: | Osipiuk, J, Hatzos, C, Abdullah, J, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-05-17 | Release date: | 2005-06-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray crystal structure of ACT domain protein from Streptococcus pneumoniae To be Published
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1ZRK
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![BU of 1zrk by Molmil](/molmil-images/mine/1zrk) | Factor XI complexed with 3-hydroxypropyl 3-(7-amidinonaphthalene-1-carboxamido)benzenesulfonate | Descriptor: | 3-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE, Coagulation factor XI, SULFATE ION | Authors: | Guo, Z, Bannister, T, Noll, R, Jin, L, Rynkiewicz, M.J, Bibbins, F, Magee, S, Gorga, J, Babine, R, Strickler, J. | Deposit date: | 2005-05-19 | Release date: | 2006-05-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis and Optimization of Potent and Selective Inhibitors for Human Factor XIa: Substituted Naphthamidine Series To be Published
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4ANE
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![BU of 4ane by Molmil](/molmil-images/mine/4ane) | R80N MUTANT OF NUCLEOSIDE DIPHOSPHATE KINASE FROM MYCOBACTERIUM TUBERCULOSIS | Descriptor: | CITRIC ACID, NUCLEOSIDE DIPHOSPHATE KINASE | Authors: | Georgescauld, F, Moynie, L, Habersetzer, J, Lascu, I, Dautant, A. | Deposit date: | 2012-03-16 | Release date: | 2013-03-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Mycobacterium Tuberculosis Nucleoside Diphosphate Kinase R80N Mutant in Complex with Citrate Acta Crystallogr.,Sect.D, 70, 2014
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2A4V
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![BU of 2a4v by Molmil](/molmil-images/mine/2a4v) | Crystal Structure of a truncated mutant of yeast nuclear thiol peroxidase | Descriptor: | Peroxiredoxin DOT5 | Authors: | Choi, J, Choi, S, Chon, J.-K, Choi, J, Cha, M.-K, Kim, I.-H, Shin, W. | Deposit date: | 2005-06-29 | Release date: | 2006-03-14 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the C107S/C112S mutant of yeast nuclear 2-Cys peroxiredoxin Proteins, 61, 2005
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5H49
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![BU of 5h49 by Molmil](/molmil-images/mine/5h49) | Crystal structure of Cbln1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cerebellin-1 | Authors: | Zhong, C, Shen, J, Zhang, H, Ding, J. | Deposit date: | 2016-10-31 | Release date: | 2017-09-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Cbln1 and Cbln4 Are Structurally Similar but Differ in GluD2 Binding Interactions. Cell Rep, 20, 2017
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6CUG
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![BU of 6cug by Molmil](/molmil-images/mine/6cug) | Crystal structure of BC8B TCR-CD1b-PC complex | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | Authors: | Shahine, A.E, Rossjohn, J. | Deposit date: | 2018-03-26 | Release date: | 2019-01-16 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A T-cell receptor escape channel allows broad T-cell response to CD1b and membrane phospholipids. Nat Commun, 10, 2019
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6CW7
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![BU of 6cw7 by Molmil](/molmil-images/mine/6cw7) | E. coli DHFR product complex with (6S)-5,6,7,8-TETRAHYDROFOLATE | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, Dihydrofolate reductase, ... | Authors: | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | Deposit date: | 2018-03-30 | Release date: | 2019-01-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release. Commun Biol, 1, 2018
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1YXS
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![BU of 1yxs by Molmil](/molmil-images/mine/1yxs) | Crystal Structure of Kinase Pim1 with P123M mutation | Descriptor: | IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1 | Authors: | Kumar, A, Mandiyan, V, Suzuki, Y, Zhang, C, Rice, J, Tsai, J, Artis, D.R, Ibrahim, P, Bremer, R. | Deposit date: | 2005-02-22 | Release date: | 2005-04-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of proto-oncogene kinase Pim1: a target of aberrant somatic hypermutations in diffuse large cell lymphoma. J.Mol.Biol., 348, 2005
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6GXE
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![BU of 6gxe by Molmil](/molmil-images/mine/6gxe) | Carbonic Anhydrase CAIX mimic in complex with inhibitor JS14 | Descriptor: | 3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Brynda, J, Rezacova, P, Pospisilova, K. | Deposit date: | 2018-06-27 | Release date: | 2019-05-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Inhibitor-Polymer Conjugates as a Versatile Tool for Detection and Visualization of Cancer-Associated Carbonic Anhydrase Isoforms Acs Omega, 2019
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1YZX
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![BU of 1yzx by Molmil](/molmil-images/mine/1yzx) | Crystal structure of human kappa class glutathione transferase | Descriptor: | Glutathione S-transferase kappa 1, L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE | Authors: | Li, J, Xia, Z, Ding, J. | Deposit date: | 2005-02-28 | Release date: | 2005-11-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Thioredoxin-like domain of human kappa class glutathione transferase reveals sequence homology and structure similarity to the theta class enzyme PROTEIN SCI., 14, 2005
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4JOM
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![BU of 4jom by Molmil](/molmil-images/mine/4jom) | Structure of E. coli Pol III 3mPHP mutant | Descriptor: | DNA polymerase III subunit alpha, GLYCEROL, PHOSPHATE ION, ... | Authors: | Barros, T, Guenther, J, Kelch, B, Anaya, J, Prabhakar, A, O'Donnell, M, Kuriyan, J, Lamers, M.H. | Deposit date: | 2013-03-18 | Release date: | 2013-05-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A structural role for the PHP domain in E. coli DNA polymerase III. Bmc Struct.Biol., 13, 2013
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4JFG
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![BU of 4jfg by Molmil](/molmil-images/mine/4jfg) | Crystal structure of sfGFP-66-HqAla | Descriptor: | CESIUM ION, Green fluorescent protein, quinolin-8-ol | Authors: | Wang, J, Liu, X, Li, J, Zhang, W, Hu, M, Zhou, J. | Deposit date: | 2013-02-28 | Release date: | 2013-10-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | Significant expansion of the fluorescent protein chromophore through the genetic incorporation of a metal-chelating unnatural amino acid. Angew.Chem.Int.Ed.Engl., 52, 2013
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6CX9
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![BU of 6cx9 by Molmil](/molmil-images/mine/6cx9) | Structure of alpha-GSA[16,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Wang, J, Zajonc, D. | Deposit date: | 2018-04-02 | Release date: | 2019-04-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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1ZAL
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![BU of 1zal by Molmil](/molmil-images/mine/1zal) | Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with partially disordered tagatose-1,6-bisphosphate, a weak competitive inhibitor | Descriptor: | Fructose-bisphosphate aldolase A, PHOSPHATE ION | Authors: | St-Jean, M, Lafrance-Vanasse, J, Liotard, B, Sygusch, J. | Deposit date: | 2005-04-06 | Release date: | 2005-05-10 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | High Resolution Reaction Intermediates of Rabbit Muscle Fructose-1,6-bisphosphate Aldolase: substrate cleavage and induced fit. J.Biol.Chem., 280, 2005
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6CYV
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![BU of 6cyv by Molmil](/molmil-images/mine/6cyv) | E. coli DHFR ternary complex with NADP and dihydrofolate | Descriptor: | DIHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | Deposit date: | 2018-04-06 | Release date: | 2019-01-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release. Commun Biol, 1, 2018
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1XQC
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![BU of 1xqc by Molmil](/molmil-images/mine/1xqc) | X-ray structure of ERalpha LBD bound to a tetrahydroisoquinoline SERM ligand at 2.05A resolution | Descriptor: | (1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OL, Estrogen receptor | Authors: | Renaud, J, Bischoff, S.F, Buhl, T, Floersheim, P, Fournier, B, Geiser, M, Halleux, C, Kallen, J, Keller, H.J, Ramage, P. | Deposit date: | 2004-10-12 | Release date: | 2005-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Selective Estrogen Receptor Modulators with Conformationally Restricted Side Chains. Synthesis and Structure-Activity Relationship of ERalpha-Selective Tetrahydroisoquinoline Ligands J.Med.Chem., 48, 2005
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