5IES
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7NX8
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![BU of 7nx8 by Molmil](/molmil-images/mine/7nx8) | Crystal structure of the K417T mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ... | Authors: | Zhou, D, Ren, J, Stuart, D. | Deposit date: | 2021-03-17 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antibody evasion by the P.1 strain of SARS-CoV-2. Cell, 184, 2021
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4Q80
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![BU of 4q80 by Molmil](/molmil-images/mine/4q80) | Neutrophil serine protease 4 (PRSS57) with val-leu-lys-chloromethylketone (VLK-cmk) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide, ... | Authors: | Eigenbrot, C, Lin, S.J, Dong, K.C. | Deposit date: | 2014-04-25 | Release date: | 2014-09-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease. Structure, 22, 2014
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4Q7Y
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![BU of 4q7y by Molmil](/molmil-images/mine/4q7y) | Neutrophil serine protease 4 (PRSS57) apo form 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Serine protease 57, ... | Authors: | Eigenbrot, C, Lin, S.J, Dong, K.C. | Deposit date: | 2014-04-25 | Release date: | 2014-09-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease. Structure, 22, 2014
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4LKS
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![BU of 4lks by Molmil](/molmil-images/mine/4lks) | Structure of CBM32-3 from a family 31 glycoside hydrolase from Clostridium perfringens in complex with galactose | Descriptor: | CALCIUM ION, Glycosyl hydrolase, family 31/fibronectin type III domain protein, ... | Authors: | Grondin, J.M, Duan, D, Kirlin, A.C, Furness, H.S, Allingham, J.S, Smith, S.P. | Deposit date: | 2013-07-08 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens. Plos One, 12, 2017
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5IFA
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3IL1
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![BU of 3il1 by Molmil](/molmil-images/mine/3il1) | Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, IDRA-21 | Descriptor: | (3S)-7-chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, GLUTAMIC ACID, Glutamate receptor 2, ... | Authors: | Ahmed, A.H, Ptak, C.P, Oswald, R.E. | Deposit date: | 2009-08-06 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Probing the allosteric modulator binding site of GluR2 with thiazide derivatives Biochemistry, 48, 2009
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3ILT
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![BU of 3ilt by Molmil](/molmil-images/mine/3ilt) | Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, trichlormethiazide | Descriptor: | 6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE, GLUTAMIC ACID, Glutamate receptor 2, ... | Authors: | Ahmed, A.H, Ptak, C.P, Oswald, R.E. | Deposit date: | 2009-08-07 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.107 Å) | Cite: | Probing the allosteric modulator binding site of GluR2 with thiazide derivatives Biochemistry, 48, 2009
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3A3W
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![BU of 3a3w by Molmil](/molmil-images/mine/3a3w) | Structure of OpdA mutant (G60A/A80V/S92A/R118Q/K185R/Q206P/D208G/I260T/G273S) with diethyl 4-methoxyphenyl phosphate bound in the active site | Descriptor: | COBALT (II) ION, DIETHYL 4-METHOXYPHENYL PHOSPHATE, Phosphotriesterase | Authors: | Ollis, D.L, Tawfik, D.S, Schenk, G, Jackson, C.J, Foo, J.L, Tokuriki, N, Afriat, L, Carr, P.D, Kim, H.K. | Deposit date: | 2009-06-23 | Release date: | 2010-01-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase Proc.Natl.Acad.Sci.USA, 2009
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4LK0
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![BU of 4lk0 by Molmil](/molmil-images/mine/4lk0) | Crystal Structure Analysis of the E.coli holoenzyme/T7 Gp2 complex | Descriptor: | Bacterial RNA polymerase inhibitor, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Bae, B, Darst, S.A. | Deposit date: | 2013-07-05 | Release date: | 2013-11-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.9103 Å) | Cite: | Phage T7 Gp2 inhibition of Escherichia coli RNA polymerase involves misappropriation of sigma 70 domain 1.1. Proc.Natl.Acad.Sci.USA, 110, 2013
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3IK6
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![BU of 3ik6 by Molmil](/molmil-images/mine/3ik6) | Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, chlorothiazide | Descriptor: | 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, GLUTAMIC ACID, Glutamate receptor 2, ... | Authors: | Ptak, C.P, Ahmed, A.H, Oswald, R.E. | Deposit date: | 2009-08-05 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Probing the allosteric modulator binding site of GluR2 with thiazide derivatives Biochemistry, 48, 2009
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5IWG
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![BU of 5iwg by Molmil](/molmil-images/mine/5iwg) | HDAC2 WITH LIGAND BRD4884 | Descriptor: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Steinbacher, S. | Deposit date: | 2016-03-22 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Kinetic and structural insights into the binding of histone deacetylase 1 and 2 (HDAC1, 2) inhibitors. Bioorg.Med.Chem., 24, 2016
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5J9A
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![BU of 5j9a by Molmil](/molmil-images/mine/5j9a) | Ambient temperature transition state structure of arginine kinase - crystal 11/Form II | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ARGININE, Arginine kinase, ... | Authors: | Godsey, M, Davulcu, O, Nix, J, Skalicky, J.J, Bruschweiler, R, Chapman, M.S. | Deposit date: | 2016-04-08 | Release date: | 2016-08-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | The Sampling of Conformational Dynamics in Ambient-Temperature Crystal Structures of Arginine Kinase. Structure, 24, 2016
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5J9C
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![BU of 5j9c by Molmil](/molmil-images/mine/5j9c) | Crystal structure of peroxiredoxin Asp f3 C31S/C61S variant | Descriptor: | MAGNESIUM ION, peroxiredoxin Asp f3 | Authors: | Bzymek, K.P, Williams, J.C, Hong, T.B, Bagramyan, K, Kalkum, M. | Deposit date: | 2016-04-08 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.956 Å) | Cite: | The Crystal Structure of Peroxiredoxin Asp f3 Provides Mechanistic Insight into Oxidative Stress Resistance and Virulence of Aspergillus fumigatus. Sci Rep, 6, 2016
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5IX0
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![BU of 5ix0 by Molmil](/molmil-images/mine/5ix0) | HDAC2 WITH LIGAND BRD7232 | Descriptor: | (3-exo)-N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide, 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ... | Authors: | Steinbacher, S. | Deposit date: | 2016-03-23 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Kinetic and structural insights into the binding of histone deacetylase 1 and 2 (HDAC1, 2) inhibitors. Bioorg.Med.Chem., 24, 2016
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7TFL
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![BU of 7tfl by Molmil](/molmil-images/mine/7tfl) | Atomic model of S. cerevisiae clamp loader RFC bound to DNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | Deposit date: | 2022-01-06 | Release date: | 2022-11-16 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Cryo-EM structures reveal that RFC recognizes both the 3'- and 5'-DNA ends to load PCNA onto gaps for DNA repair. Elife, 11, 2022
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5ODE
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![BU of 5ode by Molmil](/molmil-images/mine/5ode) | Structure of a novel oxidoreductase from Gloeobacter violaceus | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Gll2934 protein, SULFATE ION | Authors: | Buey, R.M, Galindo-Trigo, S, de Pereda, J.M, Balsera, M. | Deposit date: | 2017-07-05 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.196 Å) | Cite: | Unprecedented pathway of reducing equivalents in a diflavin-linked disulfide oxidoreductase. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7TFK
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![BU of 7tfk by Molmil](/molmil-images/mine/7tfk) | Atomic model of S. cerevisiae clamp loader RFC bound to two DNA molecules, one at the 5'-recessed end and the other at the 3'-recessed end | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | Deposit date: | 2022-01-06 | Release date: | 2022-11-16 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Cryo-EM structures reveal that RFC recognizes both the 3'- and 5'-DNA ends to load PCNA onto gaps for DNA repair. Elife, 11, 2022
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3IJO
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![BU of 3ijo by Molmil](/molmil-images/mine/3ijo) | Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, althiazide | Descriptor: | (3S)-6-chloro-3-[(prop-2-en-1-ylsulfanyl)methyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, GLUTAMIC ACID, Glutamate receptor 2, ... | Authors: | Ptak, C.P, Ahmed, A.H, Oswald, R.E. | Deposit date: | 2009-08-04 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Probing the allosteric modulator binding site of GluR2 with thiazide derivatives Biochemistry, 48, 2009
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4Q7X
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![BU of 4q7x by Molmil](/molmil-images/mine/4q7x) | Neutrophil serine protease 4 (PRSS57) apo form 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Serine protease 57, ... | Authors: | Eigenbrot, C, Lin, S.J, Dong, K.C. | Deposit date: | 2014-04-25 | Release date: | 2014-09-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease. Structure, 22, 2014
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2VHC
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![BU of 2vhc by Molmil](/molmil-images/mine/2vhc) | P4 PROTEIN FROM BACTERIOPHAGE PHI12 N234G mutant in complex with AMPCPP and MN | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MANGANESE (II) ION, NTPASE P4 | Authors: | Kainov, D.E, Mancini, E.J, Telenius, J, Lisal, J, Grimes, J.M, Bamford, D.H, Stuart, D.I, Tuma, R. | Deposit date: | 2007-11-20 | Release date: | 2007-12-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Basis of Mechanochemical Coupling in a Hexameric Molecular Motor. J.Biol.Chem., 283, 2008
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4LJZ
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![BU of 4ljz by Molmil](/molmil-images/mine/4ljz) | Crystal Structure Analysis of the E.coli holoenzyme | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Bae, B, Darst, S.A. | Deposit date: | 2013-07-05 | Release date: | 2013-11-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5871 Å) | Cite: | Phage T7 Gp2 inhibition of Escherichia coli RNA polymerase involves misappropriation of sigma 70 domain 1.1. Proc.Natl.Acad.Sci.USA, 110, 2013
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4LXD
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![BU of 4lxd by Molmil](/molmil-images/mine/4lxd) | Bcl_2-Navitoclax Analog (without Thiophenyl) Complex | Descriptor: | 4-(4-{[4-(4-chlorophenyl)-5,6-dihydro-2H-pyran-3-yl]methyl}piperazin-1-yl)-N-{[3-nitro-4-(tetrahydro-2H-pyran-4-ylamino)phenyl]sulfonyl}benzamide, Apoptosis regulator Bcl-2 | Authors: | Park, C.H. | Deposit date: | 2013-07-29 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | ABT-199, a potent and selective BCL-2 inhibitor, achieves antitumor activity while sparing platelets. NAT.MED. (N.Y.), 19, 2013
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3IJX
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![BU of 3ijx by Molmil](/molmil-images/mine/3ijx) | Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, hydrochlorothiazide | Descriptor: | 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, GLUTAMIC ACID, Glutamate receptor 2, ... | Authors: | Ptak, C.P, Ahmed, A.H, Oswald, R.E. | Deposit date: | 2009-08-05 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.881 Å) | Cite: | Probing the allosteric modulator binding site of GluR2 with thiazide derivatives Biochemistry, 48, 2009
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4MKC
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![BU of 4mkc by Molmil](/molmil-images/mine/4mkc) | Crystal Structure of Anaplastic Lymphoma Kinase Complexed with LDK378 | Descriptor: | 5-chloro-N~2~-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]pyrimidine-2,4-diamine, ALK tyrosine kinase receptor, GLYCEROL | Authors: | Lee, C.C, Spraggon, G. | Deposit date: | 2013-09-04 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The ALK Inhibitor Ceritinib Overcomes Crizotinib Resistance in Non-Small Cell Lung Cancer. Cancer Discov, 4, 2014
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