378D
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![BU of 378d by Molmil](/molmil-images/mine/378d) | STRUCTURE OF THE SIDE-BY-SIDE BINDING OF DISTAMYCIN TO DNA | Descriptor: | DISTAMYCIN A, DNA (5'-D(*GP*TP*AP*TP*AP*TP*AP*C)-3'), SODIUM ION | Authors: | Mitra, S.N, Wahl, M.C, Sundaralingam, M. | Deposit date: | 1998-01-28 | Release date: | 1999-03-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the side-by-side binding of distamycin to d(GTATATAC)2. Acta Crystallogr.,Sect.D, 55, 1999
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6IFF
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![BU of 6iff by Molmil](/molmil-images/mine/6iff) | Crystal structure of M1 zinc metallopeptidase E323A mutant from Deinococcus radiodurans | Descriptor: | SODIUM ION, TYROSINE, ZINC ION, ... | Authors: | Agrawal, R, Kumar, A, Kumar, A, Gaur, N.K, Makde, R.D. | Deposit date: | 2018-09-20 | Release date: | 2019-09-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase. Int.J.Biol.Macromol., 147, 2020
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6ILR
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![BU of 6ilr by Molmil](/molmil-images/mine/6ilr) | |
6IPF
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![BU of 6ipf by Molmil](/molmil-images/mine/6ipf) | Post-catalytic Complex of Human DNA Polymerase Mu with Templating Cytosine and Mn-8oxodGMP | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Chang, Y.K, Wu, W.J, Tsai, M.D. | Deposit date: | 2018-11-03 | Release date: | 2019-05-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Human DNA Polymerase mu Can Use a Noncanonical Mechanism for Multiple Mn2+-Mediated Functions. J.Am.Chem.Soc., 141, 2019
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3A07
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![BU of 3a07 by Molmil](/molmil-images/mine/3a07) | Crystal Structure of Actinohivin; Potent anti-HIV Protein | Descriptor: | Actinohivin, SODIUM ION | Authors: | Tsunoda, M, Suzuki, K, Sagara, T, Takenaka, A. | Deposit date: | 2009-03-04 | Release date: | 2009-08-25 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Mechanism by which the lectin actinohivin blocks HIV infection of target cells Proc.Natl.Acad.Sci.USA, 106, 2009
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6IPD
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![BU of 6ipd by Molmil](/molmil-images/mine/6ipd) | Post-catalytic Complex of Human DNA Polymerase Mu with Templating Adenine and Mn-8oxodGMP | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ... | Authors: | Chang, Y.K, Wu, W.J, Tsai, M.D. | Deposit date: | 2018-11-03 | Release date: | 2019-05-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Human DNA Polymerase mu Can Use a Noncanonical Mechanism for Multiple Mn2+-Mediated Functions. J.Am.Chem.Soc., 141, 2019
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4BDR
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![BU of 4bdr by Molmil](/molmil-images/mine/4bdr) | Crystal structure of the GluK2 R775A LBD dimer in complex with kainate | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, CHLORIDE ION, GLUTAMATE RECEPTOR, ... | Authors: | Nayeem, N, Mayans, O, Green, T. | Deposit date: | 2012-10-05 | Release date: | 2013-04-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Correlating Efficacy and Desensitization with Gluk2 Ligand-Binding Domain Movements. Open Biol., 3, 2013
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4AW1
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![BU of 4aw1 by Molmil](/molmil-images/mine/4aw1) | Human PDK1 Kinase Domain in Complex with Allosteric Compound PS210 Bound to the PIF-Pocket | Descriptor: | 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Schulze, J.O, Busschots, K, Lopez-Garcia, L.A, Lammi, C, Stroba, A, Zeuzem, S, Piiper, A, Alzari, P.M, Neimanis, S, Arencibia, J.M, Engel, M, Biondi, R.M. | Deposit date: | 2012-05-30 | Release date: | 2012-10-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Substrate-Selective Inhibition of Protein Kinase Pdk1 by Small Compounds that Bind to the Pif-Pocket Allosteric Docking Site. Chem.Biol., 19, 2012
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4DOB
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![BU of 4dob by Molmil](/molmil-images/mine/4dob) | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monochlororomethylene triphosphate: Stereoselective binding of R-isomer | Descriptor: | 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine, C C G A C C G C G C A T C A G C, CHLORIDE ION, ... | Authors: | Batra, V.K. | Deposit date: | 2012-02-09 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Beta,Gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases J.Am.Chem.Soc., 134, 2012
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6H7L
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![BU of 6h7l by Molmil](/molmil-images/mine/6h7l) | ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND PARTIAL AGONIST DOBUTAMINE AND NANOBODY Nb6B9 | Descriptor: | Beta-1 adrenergic receptor, Camelid antibody fragment Nb6B9, DOBUTAMINE, ... | Authors: | Warne, T, Edwards, P.C, Dore, A.S, Leslie, A.G.W, Tate, C.G. | Deposit date: | 2018-07-31 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular basis for high-affinity agonist binding in GPCRs. Science, 364, 2019
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6H7O
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![BU of 6h7o by Molmil](/molmil-images/mine/6h7o) | ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND WEAK PARTIAL AGONIST CYANOPINDOLOL AND NANOBODY Nb6B9 | Descriptor: | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, Beta-1 adrenergic receptor, Camelid antibody fragment Nb6B9, ... | Authors: | Warne, T, Edwards, P.C, Dore, A.S, Leslie, A.G.W, Tate, C.G. | Deposit date: | 2018-07-31 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular basis for high-affinity agonist binding in GPCRs. Science, 364, 2019
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6GW1
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![BU of 6gw1 by Molmil](/molmil-images/mine/6gw1) | |
4DOA
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![BU of 4doa by Molmil](/molmil-images/mine/4doa) | Ternary complex of dna polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monofluoromethylene triphosphate: non-interactive binding of s-isomer | Descriptor: | 2'-deoxy-5'-O-[(R)-{[(R)-[(S)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, C C G A C C G C G C A T C A G C, CHLORIDE ION, ... | Authors: | Batra, V.K. | Deposit date: | 2012-02-09 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.051 Å) | Cite: | Beta,gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases J.Am.Chem.Soc., 134, 2012
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6J6V
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![BU of 6j6v by Molmil](/molmil-images/mine/6j6v) | |
6IX5
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![BU of 6ix5 by Molmil](/molmil-images/mine/6ix5) | The structure of LepI complex with SAM and its substrate analogue | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one, CHLORIDE ION, ... | Authors: | Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J. | Deposit date: | 2018-12-09 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI. Nat.Chem., 11, 2019
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1O00
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![BU of 1o00 by Molmil](/molmil-images/mine/1o00) | |
1OCO
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![BU of 1oco by Molmil](/molmil-images/mine/1oco) | |
4B6C
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![BU of 4b6c by Molmil](/molmil-images/mine/4b6c) | Structure of the M. smegmatis GyrB ATPase domain in complex with an aminopyrazinamide | Descriptor: | 6-(3,4-dimethylphenyl)-3-[[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrazine-2-carboxamide, DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit B, SODIUM ION | Authors: | Tucker, J.A, Shirude, P.S, Madhavapeddi, P, Hussein, S, Basu, R, Ghorpade, S. | Deposit date: | 2012-08-09 | Release date: | 2013-01-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Aminopyrazinamides: novel and specific GyrB inhibitors that kill replicating and nonreplicating Mycobacterium tuberculosis. ACS Chem. Biol., 8, 2013
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6HBX
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![BU of 6hbx by Molmil](/molmil-images/mine/6hbx) | |
4D0P
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![BU of 4d0p by Molmil](/molmil-images/mine/4d0p) | Crystal structure of human CSN4 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, COP9 SIGNALOSOME COMPLEX SUBUNIT 4, ... | Authors: | Bunker, R.D, Lingaraju, G.M, Thoma, N.H. | Deposit date: | 2014-04-29 | Release date: | 2014-07-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of the Cop9 Signalosome Nature, 512, 2014
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6HDZ
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![BU of 6hdz by Molmil](/molmil-images/mine/6hdz) | Pseudomonas aeruginosa Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-Sulfamoyl)uridine | Descriptor: | 1,2-ETHANEDIOL, 5'-O-(N-(L-seryl)-Sulfamoyl)uridine, SODIUM ION, ... | Authors: | Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2018-08-20 | Release date: | 2019-12-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases. Acs Chem.Biol., 15, 2020
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1OCZ
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![BU of 1ocz by Molmil](/molmil-images/mine/1ocz) | |
3SJL
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![BU of 3sjl by Molmil](/molmil-images/mine/3sjl) | |
1OCR
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![BU of 1ocr by Molmil](/molmil-images/mine/1ocr) | |
6J3B
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![BU of 6j3b by Molmil](/molmil-images/mine/6j3b) | Crystal structure of human DHODH in complex with inhibitor 1289 | Descriptor: | (6R)-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one, ACETATE ION, CHLORIDE ION, ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2019-01-04 | Release date: | 2019-08-21 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A novel series of human dihydroorotate dehydrogenase inhibitors discovered by in vitro screening: inhibition activity and crystallographic binding mode. Febs Open Bio, 9, 2019
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