3KOH
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![BU of 3koh by Molmil](/molmil-images/mine/3koh) | Cytochrome P450 2E1 with omega-imidazolyl octanoic acid | Descriptor: | 8-(1H-imidazol-1-yl)octanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Scott, E.E, Porubsky, P.R. | Deposit date: | 2009-11-13 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode. J.Biol.Chem., 285, 2010
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3KDC
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![BU of 3kdc by Molmil](/molmil-images/mine/3kdc) | Crystal Structure of HIV-1 Protease (Q7K, L33I, L63I) in Complex with KNI-10074 | Descriptor: | (4R)-3-[(2S,3S)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Chufan, E.E, Kawasaki, Y, Freire, E, Amzel, L.M. | Deposit date: | 2009-10-22 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | How much binding affinity can be gained by filling a cavity? Chem.Biol.Drug Des., 75, 2010
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3NWF
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![BU of 3nwf by Molmil](/molmil-images/mine/3nwf) | Glycoprotein B from Herpes simplex virus type 1, low-pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein B, MESO-ERYTHRITOL, ... | Authors: | Stampfer, S.D, Lou, H, Cohen, G.H, Eisenberg, R.J, Heldwein, E.E. | Deposit date: | 2010-07-09 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1. J.Virol., 84, 2010
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3NW8
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![BU of 3nw8 by Molmil](/molmil-images/mine/3nw8) | Glycoprotein B from Herpes simplex virus type 1, Y179S mutant, high-pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Stampfer, S.D, Lou, H, Cohen, G.H, Eisenberg, R.J, Heldwein, E.E. | Deposit date: | 2010-07-09 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75915 Å) | Cite: | Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1. J.Virol., 84, 2010
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1STA
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![BU of 1sta by Molmil](/molmil-images/mine/1sta) | ACCOMMODATION OF INSERTION MUTATIONS ON THE SURFACE AND IN THE INTERIOR OF STAPHYLOCOCCAL NUCLEASE | Descriptor: | CALCIUM ION, STAPHYLOCOCCAL NUCLEASE, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Keefe, L.J, Quirk, S, Gittis, A, Lattman, E.E. | Deposit date: | 1994-01-17 | Release date: | 1994-06-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Accommodation of insertion mutations on the surface and in the interior of staphylococcal nuclease. Protein Sci., 3, 1994
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3NWD
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![BU of 3nwd by Molmil](/molmil-images/mine/3nwd) | Glycoprotein B from Herpes simplex virus type 1, Y179S mutant, low-pH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Stampfer, S.D, Lou, H, Cohen, G.H, Eisenberg, R.J, Heldwein, E.E. | Deposit date: | 2010-07-09 | Release date: | 2010-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8803 Å) | Cite: | Structural basis of local, pH-dependent conformational changes in glycoprotein B from herpes simplex virus type 1. J.Virol., 84, 2010
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3OIF
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![BU of 3oif by Molmil](/molmil-images/mine/3oif) | Crystal Structure of Enoyl-ACP Reductases I (FabI) from B. subtilis (complex with NAD and TCL) | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Kim, K.-H, Ha, B.H, Kim, S.J, Hong, S.K, Hwang, K.Y, Kim, E.E. | Deposit date: | 2010-08-19 | Release date: | 2011-01-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structures of Enoyl-ACP Reductases I (FabI) and III (FabL) from B. subtilis J.Mol.Biol., 406, 2011
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3OIG
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![BU of 3oig by Molmil](/molmil-images/mine/3oig) | Crystal Structure of Enoyl-ACP Reductases I (FabI) from B. subtilis (complex with NAD and INH) | Descriptor: | (2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Kim, K.-H, Ha, B.H, Kim, S.J, Hong, S.K, Hwang, K.Y, Kim, E.E. | Deposit date: | 2010-08-19 | Release date: | 2011-01-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal Structures of Enoyl-ACP Reductases I (FabI) and III (FabL) from B. subtilis J.Mol.Biol., 406, 2011
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3OJF
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![BU of 3ojf by Molmil](/molmil-images/mine/3ojf) | Crystal Structure of the Bacillus cereus Enoyl-Acyl Carrier Protein Reductase with NADP+ and indole naphthyridinone (Complex form) | Descriptor: | (2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase (FabL) (NADPH), NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Kim, S.J, Ha, B.H, Kim, K.H, Hong, S.K, Suh, S.W, Kim, E.E. | Deposit date: | 2010-08-22 | Release date: | 2010-09-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dimeric and tetrameric forms of enoyl-acyl carrier protein reductase from Bacillus cereus Biochem.Biophys.Res.Commun., 400, 2010
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3OZ4
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![BU of 3oz4 by Molmil](/molmil-images/mine/3oz4) | R-Methyl Carbocyclic LNA | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(URX)P*AP*CP*GP*C)-3') | Authors: | Seth, P.R, Allerson, C.A, Berdeja, A, Siwkowski, A, Pallan, P.S, Gaus, H, Prakash, T.P, Watt, A.T, Egli, M, Swayze, E.E. | Deposit date: | 2010-09-24 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | An exocyclic methylene group acts as a bioisostere of the 2'-oxygen atom in LNA. J.Am.Chem.Soc., 132, 2010
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3QOQ
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![BU of 3qoq by Molmil](/molmil-images/mine/3qoq) | |
3QWZ
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![BU of 3qwz by Molmil](/molmil-images/mine/3qwz) | Crystal structure of FAF1 UBX-p97N-domain complex | Descriptor: | FAS-associated factor 1, Transitional endoplasmic reticulum ATPase | Authors: | Park, J.K, Jeon, H, Lee, J.J, Kim, K.H, Lee, K.J, Kim, E.E. | Deposit date: | 2011-02-28 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dissection of the interaction between FAF1 UBX and p97 To be Published
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3QX1
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![BU of 3qx1 by Molmil](/molmil-images/mine/3qx1) | Crystal structure of FAF1 UBX domain | Descriptor: | FAS-associated factor 1, SULFATE ION | Authors: | Park, J.K, Jeon, H, Lee, J.J, Kim, K.H, Lee, K.J, Kim, E.E. | Deposit date: | 2011-03-01 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Dissection of the interaction between FAF1 UBX and p97 To be Published
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3RUK
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![BU of 3ruk by Molmil](/molmil-images/mine/3ruk) | Human Cytochrome P450 CYP17A1 in complex with Abiraterone | Descriptor: | Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | DeVore, N.M, Scott, E.E. | Deposit date: | 2011-05-05 | Release date: | 2012-01-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001. Nature, 482, 2012
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3OZ3
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![BU of 3oz3 by Molmil](/molmil-images/mine/3oz3) | Vinyl Carbocyclic LNA | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*(UVX)P*AP*CP*GP*C)-3') | Authors: | Seth, P.R, Allerson, C.A, Berdeja, A, Siwkowski, A, Pallan, P.S, Gaus, H, Prakash, T.P, Watt, A.T, Egli, M, Swayze, E.E. | Deposit date: | 2010-09-24 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | An exocyclic methylene group acts as a bioisostere of the 2'-oxygen atom in LNA. J.Am.Chem.Soc., 132, 2010
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3OQC
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![BU of 3oqc by Molmil](/molmil-images/mine/3oqc) | |
3OID
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![BU of 3oid by Molmil](/molmil-images/mine/3oid) | Crystal Structure of Enoyl-ACP Reductases III (FabL) from B. subtilis (complex with NADP and TCL) | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADPH], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRICLOSAN | Authors: | Kim, K.-H, Ha, B.H, Kim, S.J, Hong, S.K, Hwang, K.Y, Kim, E.E. | Deposit date: | 2010-08-19 | Release date: | 2011-01-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of Enoyl-ACP Reductases I (FabI) and III (FabL) from B. subtilis J.Mol.Biol., 406, 2011
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3OZ5
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![BU of 3oz5 by Molmil](/molmil-images/mine/3oz5) | S-Methyl Carbocyclic LNA | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(UMX)P*AP*CP*GP*C)-3'), SPERMINE | Authors: | Seth, P.R, Allerson, C.A, Berdeja, A, Siwkowski, A, Pallan, P.S, Gaus, H, Prakash, T.P, Watt, A.T, Egli, M, Swayze, E.E. | Deposit date: | 2010-09-24 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | An exocyclic methylene group acts as a bioisostere of the 2'-oxygen atom in LNA. J.Am.Chem.Soc., 132, 2010
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3Q61
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![BU of 3q61 by Molmil](/molmil-images/mine/3q61) | 3'-Fluoro Hexitol Nucleic Acid DNA Structure | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(F3H)P*AP*CP*GP*C)-3') | Authors: | Seth, P.R, Allerson, C.R, Prakash, T.P, Siwkowski, A, Berdeja, A, Yu, J, Pallan, P.S, Watt, A.T, Gaus, H, Bhat, B, Egli, M, Swayze, E.E. | Deposit date: | 2010-12-30 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Synthesis, improved antisense activity and structural rationale for the divergent RNA affinities of 3'-fluoro hexitol nucleic acid (FHNA and Ara-FHNA) modified oligonucleotides. J.Am.Chem.Soc., 133, 2011
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3RBY
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![BU of 3rby by Molmil](/molmil-images/mine/3rby) | |
3SJ5
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![BU of 3sj5 by Molmil](/molmil-images/mine/3sj5) | I5F Mutant Structure of T. Tengcongensis H-NOX | Descriptor: | Methyl-accepting chemotaxis protein, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Weinert, E.E, Phillips-Piro, C.M, Tran, R, Mathies, R.A, Marletta, M.A. | Deposit date: | 2011-06-20 | Release date: | 2011-07-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.673 Å) | Cite: | Controlling Conformational Flexibility of an O2-Binding H-NOX Domain. Biochemistry, 50, 2011
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3OIC
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![BU of 3oic by Molmil](/molmil-images/mine/3oic) | Crystal Structure of Enoyl-ACP Reductases III (FabL) from B. subtilis (apo form) | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADPH], SULFATE ION | Authors: | Kim, K.-H, Ha, B.H, Kim, S.J, Hong, S.K, Hwang, K.Y, Kim, E.E. | Deposit date: | 2010-08-19 | Release date: | 2011-01-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structures of Enoyl-ACP Reductases I (FabI) and III (FabL) from B. subtilis J.Mol.Biol., 406, 2011
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3OJE
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![BU of 3oje by Molmil](/molmil-images/mine/3oje) | Crystal Structure of the Bacillus cereus Enoyl-Acyl Carrier Protein Reductase (Apo form) | Descriptor: | Enoyl-[acyl-carrier-protein] reductase (FabL) (NADPH) | Authors: | Kim, S.J, Ha, B.H, Kim, K.H, Hong, S.K, Suh, S.W, Kim, E.E. | Deposit date: | 2010-08-22 | Release date: | 2010-09-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Dimeric and tetrameric forms of enoyl-acyl carrier protein reductase from Bacillus cereus Biochem.Biophys.Res.Commun., 400, 2010
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3T3S
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![BU of 3t3s by Molmil](/molmil-images/mine/3t3s) | Human Cytochrome P450 2A13 in complex with Pilocarpine | Descriptor: | (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one, Cytochrome P450 2A13, PROTOPORPHYRIN IX CONTAINING FE | Authors: | DeVore, N.M, Scott, E.E. | Deposit date: | 2011-07-25 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural comparison of cytochromes P450 2A6, 2A13, and 2E1 with pilocarpine. Febs J., 279, 2012
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3SWZ
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![BU of 3swz by Molmil](/molmil-images/mine/3swz) | Human Cytochrome P450 17A1 in complex with TOK-001 | Descriptor: | (3alpha,8alpha)-17-(1H-benzimidazol-1-yl)androsta-5,16-dien-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | DeVore, N.M, Scott, E.E. | Deposit date: | 2011-07-14 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of cytochrome P450 17A1 with prostate cancer drugs abiraterone and TOK-001. Nature, 482, 2012
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