9ENP
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![BU of 9enp by Molmil](/molmil-images/mine/9enp) | HSV-1 DNA polymerase-processivity factor complex in exonuclease state with 1-bp DNA mismatch | Descriptor: | CALCIUM ION, DNA (46-MER), DNA (67-MER), ... | Authors: | Gustavsson, E, Grunewald, K, Elias, P, Hallberg, B.M. | Deposit date: | 2024-03-13 | Release date: | 2024-05-29 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.12 Å) | Cite: | Dynamics of the Herpes simplex virus DNA polymerase holoenzyme during DNA synthesis and proof-reading revealed by Cryo-EM. Nucleic Acids Res., 52, 2024
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8ZN1
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![BU of 8zn1 by Molmil](/molmil-images/mine/8zn1) | Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | Authors: | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P. | Deposit date: | 2024-05-25 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution To Be Published
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9BKM
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![BU of 9bkm by Molmil](/molmil-images/mine/9bkm) | DHODH in complex with Ligand 10 | Descriptor: | (2M,6P)-2-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-04-29 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML. J.Med.Chem., 67, 2024
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9F3E
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4W8K
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![BU of 4w8k by Molmil](/molmil-images/mine/4w8k) | Crystal structure of a putative Cas1 enzyme from Vibrio phage ICP1 | Descriptor: | Cas1 protein, POTASSIUM ION | Authors: | Stogios, P.J, Wawrzak, Z, Onopriyeno, O, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-08-25 | Release date: | 2014-09-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | To be published To Be Published
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9BKN
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![BU of 9bkn by Molmil](/molmil-images/mine/9bkn) | DHODH in complex with Ligand 16 | Descriptor: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-04-29 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML. J.Med.Chem., 67, 2024
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9IIM
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![BU of 9iim by Molmil](/molmil-images/mine/9iim) | Structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with nicotinamide adenine dinucleotide at 2.74 A resolution. | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | Authors: | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Jeyakanthan, J, Sharma, S, Raje, C.I, Singh, T.P. | Deposit date: | 2024-06-20 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with nicotinamide adenine dinucleotide at 2.74 A resolution. To Be Published
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8ZN4
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![BU of 8zn4 by Molmil](/molmil-images/mine/8zn4) | Crystal structure of Poly(ethylene glycol) stabilized erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 2.30 A resolution | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ... | Authors: | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P. | Deposit date: | 2024-05-25 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of Poly(ethylene glycol) stabilized erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 2.30 A resolution To Be Published
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9B37
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![BU of 9b37 by Molmil](/molmil-images/mine/9b37) | Open state of kainate receptor GluK2 in complex with agonist glutamate and positive allosteric modulator BPAM344 bound to one concanavalin A dimer. Composite map. | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nadezhdin, K.D, Gangwar, S.P, Sobolevsky, A.I. | Deposit date: | 2024-03-18 | Release date: | 2024-05-22 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (6.66 Å) | Cite: | Kainate receptor channel opening and gating mechanism. Nature, 630, 2024
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9B36
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![BU of 9b36 by Molmil](/molmil-images/mine/9b36) | Open state of kainate receptor GluK2 in complex with agonist glutamate and positive allosteric modulator BPAM344 bound to two concanavalin A dimers. Composite map. | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nadezhdin, K.D, Gangwar, S.P, Sobolevsky, A.I. | Deposit date: | 2024-03-18 | Release date: | 2024-05-22 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (4.29 Å) | Cite: | Kainate receptor channel opening and gating mechanism. Nature, 630, 2024
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5HOR
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![BU of 5hor by Molmil](/molmil-images/mine/5hor) | Crystal structure of c-Met-M1250T in complex with SAR125844. | Descriptor: | 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea, Hepatocyte growth factor receptor | Authors: | Vallee, F, Houtmann, J, Marquette, J.-P. | Deposit date: | 2016-01-19 | Release date: | 2016-11-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844). J.Med.Chem., 59, 2016
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5HLW
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![BU of 5hlw by Molmil](/molmil-images/mine/5hlw) | Crystal structure of c-Met mutant Y1230H in complex with compound 14 | Descriptor: | 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea, CHLORIDE ION, Hepatocyte growth factor receptor | Authors: | Vallee, F, Pouzieux, S, Marquette, J.P, Houtmann, J. | Deposit date: | 2016-01-15 | Release date: | 2016-11-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844). J.Med.Chem., 59, 2016
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4WED
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![BU of 4wed by Molmil](/molmil-images/mine/4wed) | Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti | Descriptor: | ABC transporter, periplasmic solute-binding protein, FORMIC ACID, ... | Authors: | Shabalin, I.G, Otwinowski, Z, Bacal, P, Cymborowski, M.T, Handing, K.B, Stead, M, Hammonds, J, Ahmed, M, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-09-09 | Release date: | 2014-09-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti to be published
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19HC
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![BU of 19hc by Molmil](/molmil-images/mine/19hc) | NINE-HAEM CYTOCHROME C FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 | Descriptor: | ACETATE ION, PROTEIN (NINE-HAEM CYTOCHROME C), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Matias, P.M, Coelho, R, Pereira, I.A.C, Coelho, A.V, Thompson, A.W, Sieker, L, Gall, J.L, Carrondo, M.A. | Deposit date: | 1998-12-01 | Release date: | 1999-12-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The primary and three-dimensional structures of a nine-haem cytochrome c from Desulfovibrio desulfuricans ATCC 27774 reveal a new member of the Hmc family. Structure Fold.Des., 7, 1999
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5HOA
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![BU of 5hoa by Molmil](/molmil-images/mine/5hoa) | Crystal structure of c-Met L1195V in complex with SAR125844 | Descriptor: | 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea, Hepatocyte growth factor receptor | Authors: | Vallee, F, Marquette, J.-P. | Deposit date: | 2016-01-19 | Release date: | 2016-11-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844). J.Med.Chem., 59, 2016
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129D
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![BU of 129d by Molmil](/molmil-images/mine/129d) | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') COMPLEXED WITH HOECHST 33342 | Descriptor: | 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Sriram, M, Van Der Marel, G.A, Roelen, H.L.P.F, Van Boom, J.H, Wang, A.H.-J. | Deposit date: | 1993-06-30 | Release date: | 1994-01-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Conformation of B-DNA containing O6-ethyl-G-C base pairs stabilized by minor groove binding drugs: molecular structure of d(CGC[e6G]AATTCGCG complexed with Hoechst 33258 or Hoechst 33342. EMBO J., 11, 1992
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127D
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![BU of 127d by Molmil](/molmil-images/mine/127d) | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') COMPLEXED WITH HOECHST 33258 | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | Authors: | Sriram, M, Van Der Marel, G.A, Roelen, H.L.P.F, Van Boom, J.H, Wang, A.H.-J. | Deposit date: | 1993-06-30 | Release date: | 1994-01-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformation of B-DNA containing O6-ethyl-G-C base pairs stabilized by minor groove binding drugs: molecular structure of d(CGC[e6G]AATTCGCG complexed with Hoechst 33258 or Hoechst 33342. EMBO J., 11, 1992
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129L
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130L
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131L
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2E6W
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![BU of 2e6w by Molmil](/molmil-images/mine/2e6w) | Solution structure and calcium binding properties of EF-hands 3 and 4 of calsenilin | Descriptor: | CALCIUM ION, Calsenilin | Authors: | Yu, L, Sun, C, Mendoza, R, Hebert, E, Pereda-Lopez, A, Hajduk, P.J, Olejniczak, E.T. | Deposit date: | 2007-01-05 | Release date: | 2007-11-27 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure and calcium-binding properties of EF-hands 3 and 4 of calsenilin. Protein Sci., 16, 2007
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1AI0
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![BU of 1ai0 by Molmil](/molmil-images/mine/1ai0) | R6 HUMAN INSULIN HEXAMER (NON-SYMMETRIC), NMR, 10 STRUCTURES | Descriptor: | PHENOL, R6 INSULIN HEXAMER, ZINC ION | Authors: | Chang, X, Jorgensen, A.M.M, Bardrum, P, Led, J.J. | Deposit date: | 1997-04-30 | Release date: | 1997-11-12 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Solution structures of the R6 human insulin hexamer. Biochemistry, 36, 1997
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2EBJ
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![BU of 2ebj by Molmil](/molmil-images/mine/2ebj) | Crystal structure of pyrrolidone carboxyl peptidase from Thermus thermophilus | Descriptor: | Pyrrolidone carboxyl peptidase | Authors: | Kumarevel, T.S, Karthe, P, Agari, Y, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-02-08 | Release date: | 2007-08-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of pyrrolidone carboxyl peptidase from Thermus thermophilus To be Published
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4WA0
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156D
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![BU of 156d by Molmil](/molmil-images/mine/156d) | |