5XNJ
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7S3T
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![BU of 7s3t by Molmil](/molmil-images/mine/7s3t) | NzeB Diketopiperazine Dimerase Mutant: Q68I-G87A-A89G-I90V | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Harris, N.R, Shende, V.V, Sanders, J.N, Newmister, S.A, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H. | Deposit date: | 2021-09-08 | Release date: | 2022-10-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases. Angew.Chem.Int.Ed.Engl., 2023
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4CMQ
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![BU of 4cmq by Molmil](/molmil-images/mine/4cmq) | Crystal structure of Mn-bound S.pyogenes Cas9 | Descriptor: | CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MANGANESE (II) ION, SULFATE ION | Authors: | Jinek, M, Jiang, F, Taylor, D.W, Sternberg, S.H, Kaya, E, Ma, E, Anders, C, Hauer, M, Zhou, K, Lin, S, Kaplan, M, Iavarone, A.T, Charpentier, E, Nogales, E, Doudna, J.A. | Deposit date: | 2014-01-17 | Release date: | 2014-02-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Structures of Cas9 Endonucleases Reveal RNA- Mediated Conformational Activation Science, 343, 2014
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5XNK
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![BU of 5xnk by Molmil](/molmil-images/mine/5xnk) | Crystal structure of Microcystis aeruginosa PCC 7806 aspartate racemase in complex with DL-methyl-aspartate | Descriptor: | (2S,3S)-3-methyl-aspartic acid, 3-METHYL-BETA-D-ASPARTIC ACID, McyF | Authors: | Cao, D.D, Zhou, K, Jiang, Y.L, Zhou, C.Z. | Deposit date: | 2017-05-23 | Release date: | 2018-05-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure-function Analyses of a Cyanobacterial Aspartate Racemase Reveal Its Catalytic Mechanism and Substrate Specificity To Be Published
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5XNI
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7F1M
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![BU of 7f1m by Molmil](/molmil-images/mine/7f1m) | Marburg virus nucleoprotein-RNA complex | Descriptor: | Nucleoprotein, RNA (5'-R(P*UP*UP*UP*UP*UP*U)-3') | Authors: | Fujita, F.Y, Sugita, Y, Takamatsu, Y, Houri, K, Muramoto, Y, Nakano, M, Tsunoda, Y, Igarashi, M, Becker, S, Noda, T. | Deposit date: | 2021-06-09 | Release date: | 2022-03-09 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insight into Marburg virus nucleoprotein-RNA complex formation. Nat Commun, 13, 2022
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3MDA
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![BU of 3mda by Molmil](/molmil-images/mine/3mda) | DNA polymerase lambda in complex with araC | Descriptor: | DNA (5'-D(*CP*AP*GP*TP*AP*CP*(CAR))-3'), DNA (5'-D(*CP*GP*GP*CP*GP*GP*TP*AP*CP*TP*G)-3'), DNA (5'-D(P*GP*CP*CP*G)-3'), ... | Authors: | Garcia-Diaz, M, Murray, M, Kunkel, T, Chou, K.M. | Deposit date: | 2010-03-30 | Release date: | 2010-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.031 Å) | Cite: | Interaction between DNA Polymerase lambda and anticancer nucleoside analogs. J.Biol.Chem., 285, 2010
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4CMP
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![BU of 4cmp by Molmil](/molmil-images/mine/4cmp) | Crystal structure of S. pyogenes Cas9 | Descriptor: | CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, SULFATE ION | Authors: | Jinek, M, Jiang, F, Taylor, D.W, Sternberg, S.H, Kaya, E, Ma, E, Anders, C, Hauer, M, Zhou, K, Lin, S, Kaplan, M, Iavarone, A.T, Charpentier, E, Nogales, E, Doudna, J.A. | Deposit date: | 2014-01-16 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structures of Cas9 Endonucleases Reveal RNA-Mediated Conformational Activation. Science, 343, 2014
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3MDC
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![BU of 3mdc by Molmil](/molmil-images/mine/3mdc) | DNA polymerase lambda in complex with dFdCTP | Descriptor: | 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate), DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), DNA (5'-D(*CP*GP*GP*CP*GP*GP*TP*AP*CP*TP*G)-3'), ... | Authors: | Garcia-Diaz, M, Murray, M, Kunkel, T, Chou, K.M. | Deposit date: | 2010-03-30 | Release date: | 2010-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Interaction between DNA Polymerase lambda and anticancer nucleoside analogs. J.Biol.Chem., 285, 2010
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5WPU
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![BU of 5wpu by Molmil](/molmil-images/mine/5wpu) | Crystal structure HpiC1 Y101S | Descriptor: | 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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5WPS
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![BU of 5wps by Molmil](/molmil-images/mine/5wps) | Crystal structure HpiC1 Y101F | Descriptor: | 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.389 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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5WPR
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![BU of 5wpr by Molmil](/molmil-images/mine/5wpr) | Crystal structure HpiC1 in C2 space group | Descriptor: | 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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2V5Y
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![BU of 2v5y by Molmil](/molmil-images/mine/2v5y) | Crystal structure of the receptor protein tyrosine phosphatase mu ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE MU, SODIUM ION | Authors: | Aricescu, A.R, Siebold, C, Choudhuri, K, Chang, V.T, Lu, W, Davis, S.J, van der Merwe, P.A, Jones, E.Y. | Deposit date: | 2007-07-11 | Release date: | 2007-09-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of a Tyrosine Phosphatase Adhesive Interaction Reveals a Spacer-Clamp Mechanism. Science, 317, 2007
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1SJ3
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![BU of 1sj3 by Molmil](/molmil-images/mine/1sj3) | Hepatitis Delta Virus Gemonic Ribozyme Precursor, with Mg2+ Bound | Descriptor: | MAGNESIUM ION, precursor form of the Hepatitis Delta virus ribozyme, small nuclear ribonucleoprotein A | Authors: | Ke, A, Zhou, K, Ding, F, Cate, J.H, Doudna, J.A. | Deposit date: | 2004-03-02 | Release date: | 2004-05-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Conformational Switch controls hepatitis delta virus ribozyme
catalysis Nature, 429, 2004
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1VBY
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![BU of 1vby by Molmil](/molmil-images/mine/1vby) | Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Precursor, with C75U mutaion, and Mn2+ bound | Descriptor: | Hepatitis Delta virus ribozyme, MANGANESE (II) ION, SODIUM ION, ... | Authors: | Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A. | Deposit date: | 2004-03-03 | Release date: | 2004-05-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A Conformational Switch controls hepatitis delta virus ribozyme catalysis NATURE, 429, 2004
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1VC0
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![BU of 1vc0 by Molmil](/molmil-images/mine/1vc0) | Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Precursor, with C75U mutaion, in Imidazole and Sr2+ solution | Descriptor: | Hepatitis Delta virus ribozyme, STRONTIUM ION, U1 small nuclear ribonucleoprotein A | Authors: | Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A. | Deposit date: | 2004-03-03 | Release date: | 2004-05-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Conformational Switch controls hepatitis delta virus ribozyme catalysis NATURE, 429, 2004
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1VC6
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![BU of 1vc6 by Molmil](/molmil-images/mine/1vc6) | Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Product with C75U Mutaion, cleaved in Imidazole and Mg2+ solutions | Descriptor: | Hepatitis Delta virus ribozyme, MAGNESIUM ION, U1 small nuclear ribonucleoprotein A | Authors: | Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A. | Deposit date: | 2004-03-04 | Release date: | 2004-05-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Conformational Switch controls hepatitis delta virus ribozyme catalysis NATURE, 429, 2004
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1VBX
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![BU of 1vbx by Molmil](/molmil-images/mine/1vbx) | Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Precursor, with C75U mutaion, in EDTA solution | Descriptor: | Hepatitis Delta virus ribozyme, U1 small nuclear ribonucleoprotein A | Authors: | Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A. | Deposit date: | 2004-03-03 | Release date: | 2004-05-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Conformational Switch controls hepatitis delta virus ribozyme catalysis NATURE, 429, 2004
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1VC5
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![BU of 1vc5 by Molmil](/molmil-images/mine/1vc5) | Crystal Structure of the Wild Type Hepatitis Delta Virus Gemonic Ribozyme Precursor, in EDTA solution | Descriptor: | Hepatitis Delta virus ribozyme, SODIUM ION, U1 small nuclear ribonucleoprotein A | Authors: | Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A. | Deposit date: | 2004-03-04 | Release date: | 2004-05-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | A Conformational Switch controls hepatitis delta virus ribozyme catalysis NATURE, 429, 2004
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1VBZ
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![BU of 1vbz by Molmil](/molmil-images/mine/1vbz) | Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Precursor, with C75U mutaion, in Ba2+ solution | Descriptor: | BARIUM ION, Hepatitis Delta virus ribozyme, U1 small nuclear ribonucleoprotein A | Authors: | Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A. | Deposit date: | 2004-03-03 | Release date: | 2004-05-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Conformational Switch controls hepatitis delta virus ribozyme catalysis NATURE, 429, 2004
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1SJF
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![BU of 1sjf by Molmil](/molmil-images/mine/1sjf) | Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Precursor, with C75U mutaion, in Cobalt Hexammine solution | Descriptor: | COBALT HEXAMMINE(III), Hepatitis Delta virus ribozyme, U1 small nuclear ribonucleoprotein A | Authors: | Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A. | Deposit date: | 2004-03-03 | Release date: | 2004-05-18 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | A conformational switch controls hepatitis delta virus ribozyme catalysis. Nature, 429, 2004
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1SJ4
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![BU of 1sj4 by Molmil](/molmil-images/mine/1sj4) | Crystal structure of a C75U mutant Hepatitis Delta Virus ribozyme precursor, in Cu2+ solution | Descriptor: | precursor form of the Hepatitis Delta virus ribozyme, small nuclear ribonucleoprotein A | Authors: | Ke, A, Zhou, K, Ding, F, Cate, J.H, Doudna, J.A. | Deposit date: | 2004-03-02 | Release date: | 2004-05-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Conformational Switch controls hepatitis delta virus ribozyme
catalysis Nature, 429, 2004
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2XLI
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![BU of 2xli by Molmil](/molmil-images/mine/2xli) | Crystal structure of the Csy4-crRNA complex, monoclinic form | Descriptor: | 5'-R(*CP*UP*GP*CP*CP*GP*UP*AP*UP*AP*GP*GP*CP*A*DG*C)-3', CSY4 ENDORIBONUCLEASE | Authors: | Haurwitz, R.E, Jinek, M, Wiedenheft, B, Zhou, K, Doudna, J.A. | Deposit date: | 2010-07-20 | Release date: | 2010-09-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Sequence- and Structure-Specific RNA Processing by a Crispr Endonuclease. Science, 329, 2010
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3Q2D
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![BU of 3q2d by Molmil](/molmil-images/mine/3q2d) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution | Descriptor: | 5-nitro-1H-benzotriazole, Deoxyribose phosphate aldolase | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Murphy, P, Dym, O, Albeck, S, Kiss, G, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2010-12-20 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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1OWB
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![BU of 1owb by Molmil](/molmil-images/mine/1owb) | Three Dimensional Structure Analysis Of The Variant R109L NADH Complex of Type II Citrate Synthase From E. Coli | Descriptor: | Citrate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | Authors: | Stokell, D.J, Donald, L.J, Maurus, R, Nguyen, N.T, Sadler, G, Choudhary, K, Hultin, P.G, Brayer, G.D, Duckworth, H.W. | Deposit date: | 2003-03-28 | Release date: | 2004-05-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Probing the roles of key residues in the unique regulatory NADH binding site of type II citrate synthase of Escherichia coli. J.Biol.Chem., 278, 2003
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