4DDB
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![BU of 4ddb by Molmil](/molmil-images/mine/4ddb) | EVAL processed HEWL, cisplatin DMSO paratone pH 6.5 | Descriptor: | Cisplatin, DIMETHYL SULFOXIDE, Lysozyme C | Authors: | Tanley, S.W, Schreurs, A.M, Kroon-Batenburg, L.M, Meredith, J, Prendergast, R, Walsh, D, Bryant, P, Levy, C, Helliwell, J.R. | Deposit date: | 2012-01-18 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural studies of the effect that dimethyl sulfoxide (DMSO) has on cisplatin and carboplatin binding to histidine in a protein. Acta Crystallogr.,Sect.D, 68, 2012
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3AMR
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![BU of 3amr by Molmil](/molmil-images/mine/3amr) | Crystal Structures of Bacillus subtilis Alkaline Phytase in Complex with Ca2+, Co2+, Ni2+, Mg2+ and myo-Inositol Hexasulfate | Descriptor: | 3-phytase, CALCIUM ION, D-MYO-INOSITOL-HEXASULPHATE | Authors: | Zeng, Y.F, Ko, T.P, Lai, H.L, Cheng, Y.S, Wu, T.H, Ma, Y, Yang, C.S, Cheng, K.J, Huang, C.H, Guo, R.T, Liu, J.R. | Deposit date: | 2010-08-22 | Release date: | 2011-04-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal structures of Bacillus alkaline phytase in complex with divalent metal ions and inositol hexasulfate J.Mol.Biol., 409, 2011
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4DD8
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![BU of 4dd8 by Molmil](/molmil-images/mine/4dd8) | ADAM-8 metalloproteinase domain with bound batimastat | Descriptor: | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hall, T, Shieh, H.S, Day, J.E, Caspers, N, Chrencik, J.E, Williams, J.M, Pegg, L.E, Pauley, A.M, Moon, A.F, Krahn, J.M, Fischer, D.H, Kiefer, J.R, Tomasselli, A.G, Zack, M.D. | Deposit date: | 2012-01-18 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of human ADAM-8 catalytic domain complexed with batimastat. Acta Crystallogr.,Sect.F, 68, 2012
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2ZRC
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![BU of 2zrc by Molmil](/molmil-images/mine/2zrc) | MsRecA Q196N Form IV | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, GLYCEROL, PHOSPHATE ION, ... | Authors: | Prabu, J.R, Manjunath, G.P, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2008-08-27 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Functionally important movements in RecA molecules and filaments: studies involving mutation and environmental changes Acta Crystallogr.,Sect.D, 64, 2008
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2ZRK
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![BU of 2zrk by Molmil](/molmil-images/mine/2zrk) | MsRecA Q196A dATP form IV | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Protein recA | Authors: | Prabu, J.R, Manjunath, G.P, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2008-08-27 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Functionally important movements in RecA molecules and filaments: studies involving mutation and environmental changes Acta Crystallogr.,Sect.D, 64, 2008
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2ZRE
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![BU of 2zre by Molmil](/molmil-images/mine/2zre) | MsRecA Q196N ATPgS form IV | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Prabu, J.R, Manjunath, G.P, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2008-08-27 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Functionally important movements in RecA molecules and filaments: studies involving mutation and environmental changes Acta Crystallogr.,Sect.D, 64, 2008
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2ZRM
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![BU of 2zrm by Molmil](/molmil-images/mine/2zrm) | MsRecA dATP form IV | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, GLYCEROL, Protein recA | Authors: | Prabu, J.R, Manjunath, G.P, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2008-08-27 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Functionally important movements in RecA molecules and filaments: studies involving mutation and environmental changes Acta Crystallogr.,Sect.D, 64, 2008
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3AXE
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![BU of 3axe by Molmil](/molmil-images/mine/3axe) | The truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase V18Y/W203Y in complex with cellotetraose (cellobiose density was observed) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucanase, CALCIUM ION, ... | Authors: | Huang, J.W, Cheng, Y.S, Ko, T.P, Lin, C.Y, Lai, H.L, Chen, C.C, Ma, Y, Huang, C.H, Zheng, Y, Liu, J.R, Guo, R.T. | Deposit date: | 2011-04-04 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Rational design to improve thermostability and specific activity of the truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase Appl.Microbiol.Biotechnol., 94, 2012
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3AXD
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![BU of 3axd by Molmil](/molmil-images/mine/3axd) | The truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase V18Y/W203Y in apo-form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-glucanase, CALCIUM ION | Authors: | Huang, J.W, Cheng, Y.S, Ko, T.P, Lin, C.Y, Lai, H.L, Chen, C.C, Ma, Y, Huang, C.H, Zheng, Y, Liu, J.R, Guo, R.T. | Deposit date: | 2011-04-03 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Rational design to improve thermostability and specific activity of the truncated Fibrobacter succinogenes 1,3-1,4-beta-D-glucanase Appl.Microbiol.Biotechnol., 94, 2012
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1EYU
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![BU of 1eyu by Molmil](/molmil-images/mine/1eyu) | |
2ZR0
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![BU of 2zr0 by Molmil](/molmil-images/mine/2zr0) | MSRECA-Q196E mutant | Descriptor: | GLYCEROL, PHOSPHATE ION, Protein recA | Authors: | Prabu, J.R, Manjunath, G.P, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2008-08-22 | Release date: | 2008-12-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Functionally important movements in RecA molecules and filaments: studies involving mutation and environmental changes Acta Crystallogr.,Sect.D, 64, 2008
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3B7X
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![BU of 3b7x by Molmil](/molmil-images/mine/3b7x) | Crystal structure of human FK506-Binding Protein 6 | Descriptor: | FK506-binding protein 6 | Authors: | Walker, J.R, Davis, T, Butler-Cole, C, Paramanathan, R, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-31 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Human FK506-Binding Protein 6. To be Published
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3BAK
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![BU of 3bak by Molmil](/molmil-images/mine/3bak) | N298S mutant of Human Pancreatic Alpha-Amylase in complex with nitrate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NITRATE ION, ... | Authors: | Fredriksen, J.R, Maurus, R, Brayer, G.D. | Deposit date: | 2007-11-08 | Release date: | 2008-03-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity Biochemistry, 47, 2008
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4E47
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![BU of 4e47 by Molmil](/molmil-images/mine/4e47) | SET7/9 in complex with inhibitor (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6- sulfonamide and S-adenosylmethionine | Descriptor: | (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETD7, ... | Authors: | Walker, J.R, Ouyang, H, Dong, A, Fish, P, Cook, A, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-03-12 | Release date: | 2012-03-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Setd7 in Complex with Inhibitor and SAM To be Published
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3BAY
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![BU of 3bay by Molmil](/molmil-images/mine/3bay) | N298S Variant of Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED PENTASACCHARIDE, CALCIUM ION, ... | Authors: | Fredriksen, J.R, Maurus, R, Brayer, G.D. | Deposit date: | 2007-11-08 | Release date: | 2008-03-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity Biochemistry, 47, 2008
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3AZR
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![BU of 3azr by Molmil](/molmil-images/mine/3azr) | Diverse Substrates Recognition Mechanism Revealed by Thermotoga maritima Cel5A Structures in Complex with Cellobiose | Descriptor: | Endoglucanase, beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Wu, T.H, Huang, C.H, Ko, T.P, Lai, H.L, Ma, Y, Chen, C.C, Cheng, Y.S, Liu, J.R, Guo, R.T. | Deposit date: | 2011-05-30 | Release date: | 2011-08-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Diverse substrate recognition mechanism revealed by Thermotoga maritima Cel5A structures in complex with cellotetraose, cellobiose and mannotriose Biochim.Biophys.Acta, 1814, 2011
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3B6T
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![BU of 3b6t by Molmil](/molmil-images/mine/3b6t) | Crystal Structure of the GLUR2 Ligand Binding Core (S1S2J) T686A Mutant in Complex with Quisqualate at 2.1 Resolution | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Glutamate receptor 2, SULFATE ION | Authors: | Cho, Y, Lolis, E, Howe, J.R. | Deposit date: | 2007-10-29 | Release date: | 2008-02-05 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and single-channel results indicate that the rates of ligand binding domain closing and opening directly impact AMPA receptor gating. J.Neurosci., 28, 2008
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3AZS
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![BU of 3azs by Molmil](/molmil-images/mine/3azs) | Diverse Substrates Recognition Mechanism Revealed by Thermotoga maritima Cel5A Structures in Complex with Mannotriose | Descriptor: | Endoglucanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose | Authors: | Wu, T.H, Huang, C.H, Ko, T.P, Lai, H.L, Ma, Y, Chen, C.C, Cheng, Y.S, Liu, J.R, Guo, R.T. | Deposit date: | 2011-05-30 | Release date: | 2011-08-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Diverse substrate recognition mechanism revealed by Thermotoga maritima Cel5A structures in complex with cellotetraose, cellobiose and mannotriose Biochim.Biophys.Acta, 1814, 2011
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1GJB
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![BU of 1gjb by Molmil](/molmil-images/mine/1gjb) | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | Descriptor: | 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-27 | Release date: | 2002-04-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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6DF6
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![BU of 6df6 by Molmil](/molmil-images/mine/6df6) | Crystal structure of estrogen receptor alpha in complex with receptor degrader 16ab | Descriptor: | (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, GLYCEROL | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C. | Deposit date: | 2018-05-14 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha. Bioorg. Med. Chem. Lett., 29, 2019
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6DFJ
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![BU of 6dfj by Molmil](/molmil-images/mine/6dfj) | |
3GZM
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![BU of 3gzm by Molmil](/molmil-images/mine/3gzm) | Crystal Structure of holo PfACP Reduced Monomer | Descriptor: | 4'-PHOSPHOPANTETHEINE, Acyl carrier protein, BETA-MERCAPTOETHANOL, ... | Authors: | Gallagher, J.R, Prigge, S.T. | Deposit date: | 2009-04-07 | Release date: | 2009-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Plasmodium falciparum acyl carrier protein crystal structures in disulfide-linked and reduced states and their prevalence during blood stage growth. Proteins, 78, 2010
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6DQC
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![BU of 6dqc by Molmil](/molmil-images/mine/6dqc) | |
6DQY
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![BU of 6dqy by Molmil](/molmil-images/mine/6dqy) | |
3H8V
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![BU of 3h8v by Molmil](/molmil-images/mine/3h8v) | Human Ubiquitin-activating Enzyme 5 in Complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Ubiquitin-like modifier-activating enzyme 5, ZINC ION | Authors: | Walker, J.R, Bacik, J.P, Rastgoo, N, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-04-29 | Release date: | 2009-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the human ubiquitin-activating enzyme 5 (UBA5) bound to ATP: mechanistic insights into a minimalistic E1 enzyme. J.Biol.Chem., 285, 2010
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