1RLU
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![BU of 1rlu by Molmil](/molmil-images/mine/1rlu) | Mycobacterium tuberculosis FtsZ in complex with GTP-gamma-S | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell division protein ftsZ, GLYCEROL | Authors: | Leung, A.K.W, White, E.L, Ross, L.J, Reynolds, R.C, DeVito, J.A, Borhani, D.W. | Deposit date: | 2003-11-26 | Release date: | 2004-08-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structure of Mycobacterium tuberculosis FtsZ reveals unexpected, G protein-like conformational switches. J.Mol.Biol., 342, 2004
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4IGS
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![BU of 4igs by Molmil](/molmil-images/mine/4igs) | Crystal structure of human Aldose Reductase complexed with NADP+ and JF0064 | Descriptor: | 2,2',3,3',5,5',6,6'-octafluorobiphenyl-4,4'-diol, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Porte, S, de Lera, A.R, Martin, M.J, de la Fuente, J.A, Klebe, G, Farres, J, Pares, X, Podjarny, A. | Deposit date: | 2012-12-18 | Release date: | 2014-03-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Identification of a novel polyfluorinated compound as a lead to inhibit the human enzymes aldose reductase and AKR1B10: structure determination of both ternary complexes and implications for drug design. Acta Crystallogr.,Sect.D, 70, 2014
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1RLQ
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![BU of 1rlq by Molmil](/molmil-images/mine/1rlq) | TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS | Descriptor: | C-SRC TYROSINE KINASE SH3 DOMAIN, PROLINE-RICH LIGAND RLP2 (RALPPLPRY) | Authors: | Feng, S, Chen, J.K, Yu, H, Simon, J.A, Schreiber, S.L. | Deposit date: | 1994-10-10 | Release date: | 1995-02-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Two binding orientations for peptides to the Src SH3 domain: development of a general model for SH3-ligand interactions. Science, 266, 1994
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4IHQ
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![BU of 4ihq by Molmil](/molmil-images/mine/4ihq) | Archaellum Assembly ATPase FlaI bound to ADP | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, FlaI ATPase, ... | Authors: | Reindl, S, Williams, G.J, Tainer, J.A. | Deposit date: | 2012-12-19 | Release date: | 2013-03-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Insights into FlaI Functions in Archaeal Motor Assembly and Motility from Structures, Conformations, and Genetics. Mol.Cell, 49, 2013
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4IP4
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![BU of 4ip4 by Molmil](/molmil-images/mine/4ip4) | Crystal structure of l-fuconate dehydratase from Silicibacter sp. tm1040 liganded with Mg | Descriptor: | CARBON DIOXIDE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Lukk, T, Gerlt, J.A, Almo, S.C. | Deposit date: | 2013-01-09 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.128 Å) | Cite: | Crystal structure of l-fuconate dehydratase from Silicibacter sp. tm1040 liganded with mg To be Published
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1SKK
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![BU of 1skk by Molmil](/molmil-images/mine/1skk) | Structure of the antimicrobial hexapeptide cyc-(KKWWKF) bound to DPC micelles | Descriptor: | cyclic hexapeptide KKWWKF | Authors: | Appelt, C, Soderhall, J.A, Bienert, M, Dathe, M, Schmieder, P. | Deposit date: | 2004-03-05 | Release date: | 2005-03-15 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Structure of the antimicrobial, cationic hexapeptide cyclo(RRWWRF) and its analogues in solution and bound to detergent micelles. Chembiochem, 6, 2005
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4IP5
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![BU of 4ip5 by Molmil](/molmil-images/mine/4ip5) | Crystal structure of l-fuconate dehydratase from Silicibacter sp. tm1040 liganded with Mg and d-erythronohydroxamate | Descriptor: | (2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Lukk, T, Gerlt, J.A, Almo, S.C. | Deposit date: | 2013-01-09 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal structure of l-fuconate dehydratase from Silicibacter sp. tm1040 liganded with Mg and d-erythronohydroxamate To be Published
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4ID9
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![BU of 4id9 by Molmil](/molmil-images/mine/4id9) | Crystal structure of a short-chain dehydrogenase/reductase superfamily protein from agrobacterium tumefaciens (TARGET EFI-506441) with bound nad, monoclinic form 1 | Descriptor: | ALANINE, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Vetting, M.W, Groninger-Poe, F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-12-12 | Release date: | 2012-12-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of a short-chain dehydrogenase/reductase superfamily protein from agrobacterium tumefaciens (TARGET EFI-506441) with bound nad, monoclinic form 1 To be Published
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1S9H
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![BU of 1s9h by Molmil](/molmil-images/mine/1s9h) | Crystal Structure of Adeno-associated virus Type 2 Rep40 | Descriptor: | Rep 40 protein | Authors: | James, J.A, Escalante, C.R, Yoon-Robarts, M, Edwards, T.A, Linden, R.M, Aggarwal, A.K. | Deposit date: | 2004-02-04 | Release date: | 2004-05-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the SF3 Helicase from Adeno-Associated Virus Type 2 Structure, 11, 2003
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4IYS
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![BU of 4iys by Molmil](/molmil-images/mine/4iys) | Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4 | Descriptor: | Metal transporter CNNM2 | Authors: | Corral-Rodriguez, M.A, Stuiver, M, Encinar, J.A, Spiwok, V, Gomez-Garcia, I, Oyenarte, I, Ereno-Orbea, J, Terashima, H, Accardi, A, Diercks, T, Muller, D, Martinez-Cruz, L.A. | Deposit date: | 2013-01-29 | Release date: | 2014-03-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4 To be Published
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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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1SJC
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![BU of 1sjc by Molmil](/molmil-images/mine/1sjc) | x-ray structure of o-succinylbenzoate synthase complexed with N-succinyl methionine | Descriptor: | MAGNESIUM ION, N-SUCCINYL METHIONINE, N-acylamino acid racemase | Authors: | Thoden, J.B, Taylor-Ringia, E.A, Garrett, J.B, Gerlt, J.A, Holden, H.M, Rayment, I. | Deposit date: | 2004-03-03 | Release date: | 2004-06-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Evolution of Enzymatic Activity in the Enolase Superfamily: Structural Studies of the Promiscuous o-Succinylbenzoate Synthase from Amycolatopsis Biochemistry, 43, 2004
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1SKI
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![BU of 1ski by Molmil](/molmil-images/mine/1ski) | Structure of the antimicrobial hexapeptide cyc-(RRYYRF) bound to DPC micelles | Descriptor: | cyclic hexapeptide RRYYRF | Authors: | Appelt, C, Soderhall, J.A, Bienert, M, Dathe, M, Schmieder, P. | Deposit date: | 2004-03-05 | Release date: | 2005-03-15 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Structure of the antimicrobial, cationic hexapeptide cyclo(RRWWRF) and its analogues in solution and bound to detergent micelles. Chembiochem, 6, 2005
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1SH0
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![BU of 1sh0 by Molmil](/molmil-images/mine/1sh0) | Crystal Structure of Norwalk Virus Polymerase (Triclinic) | Descriptor: | RNA Polymerase | Authors: | Ng, K.K, Pendas-Franco, N, Rojo, J, Boga, J.A, Machin, A, Alonso, J.M, Parra, F. | Deposit date: | 2004-02-24 | Release date: | 2004-03-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Crystal structure of norwalk virus polymerase reveals the carboxyl terminus in the active site cleft. J.Biol.Chem., 279, 2004
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4IWC
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![BU of 4iwc by Molmil](/molmil-images/mine/4iwc) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with a Dynamic Thiophene-derivative | Descriptor: | 4,4'-thiene-2,5-diylbis(3-methylphenol), Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-23 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4IY2
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![BU of 4iy2 by Molmil](/molmil-images/mine/4iy2) | Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4 | Descriptor: | Metal transporter CNNM2 | Authors: | Corral-Rodriguez, M.A, Stuiver, M, Encinar, J.A, Spiwok, V, Gomez-Garcia, I, Oyenarte, I, Ereno-Orbea, J, Terashima, H, Accardi, A, Diercks, T, Muller, D, Martinez-Cruz, L.A. | Deposit date: | 2013-01-28 | Release date: | 2014-03-05 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4 To be Published
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4IW6
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![BU of 4iw6 by Molmil](/molmil-images/mine/4iw6) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 7b | Descriptor: | 4-[2-(but-3-en-1-yl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-23 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4IZ6
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![BU of 4iz6 by Molmil](/molmil-images/mine/4iz6) | Structure of EntE and EntB, an NRPS adenylation-PCP fusion protein with pseudo translational symmetry | Descriptor: | 4'-PHOSPHOPANTETHEINE, 5'-deoxy-5'-({[2-(2,3-dihydroxyphenyl)ethyl]sulfonyl}amino)adenosine, Enterobactin synthase component E, ... | Authors: | Gulick, A.M, Sundlov, J.A. | Deposit date: | 2013-01-29 | Release date: | 2013-07-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure determination of the functional domain interaction of a chimeric nonribosomal peptide synthetase from a challenging crystal with noncrystallographic translational symmetry. Acta Crystallogr.,Sect.D, 69, 2013
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4IU7
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![BU of 4iu7 by Molmil](/molmil-images/mine/4iu7) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 2b | Descriptor: | 4-[2-ethyl-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-20 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4J2I
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![BU of 4j2i by Molmil](/molmil-images/mine/4j2i) | Multiple crystal structures of an all-AT DNA dodecamer stabilized by weak interactions | Descriptor: | 5'-D(*AP*AP*TP*AP*AP*AP*TP*TP*TP*AP*TP*T)-3' | Authors: | Acosta-Reyes, F.J, Subirana, J.A, Pous, J, Sanchez, R, Condom, N, Baldini, R, Malinina, L, Campos, J.L. | Deposit date: | 2013-02-04 | Release date: | 2014-02-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Polymorphic crystal structures of an all-AT DNA dodecamer. Biopolymers, 103, 2015
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4IV4
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![BU of 4iv4 by Molmil](/molmil-images/mine/4iv4) | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Constrained WAY-derivative, 5b | Descriptor: | 4-[2-(2-methylpropyl)-7-(trifluoromethyl)-2H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Parent, A.A, Cavett, V, Nowak, J, Hughes, T.S, Kojetin, D.J, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2013-01-22 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ligand binding dynamics rewire cellular signaling via Estrogen Receptor-alpha Nat.Chem.Biol., 9, 2013
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4IY0
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![BU of 4iy0 by Molmil](/molmil-images/mine/4iy0) | Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4 | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Metal transporter CNNM2 | Authors: | Corral-Rodriguez, M.A, Stuiver, M, Encinar, J.A, Spiwok, V, Gomez-Garcia, I, Oyenarte, I, Ereno-Orbea, J, Terashima, H, Accardi, A, Diercks, T, Muller, D, Martinez-Cruz, L.A. | Deposit date: | 2013-01-28 | Release date: | 2014-03-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4 To be Published
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4J1O
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![BU of 4j1o by Molmil](/molmil-images/mine/4j1o) | Crystal structure of an enolase (mandelate racemase subgroup) from paracococus denitrificans pd1222 (target nysgrc-012907) with bound l-proline betaine (substrate) | Descriptor: | 1,1-DIMETHYL-PROLINIUM, GLYCEROL, IODIDE ION, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, LaFleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-02-01 | Release date: | 2013-03-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Prediction and biochemical demonstration of a catabolic pathway for the osmoprotectant proline betaine. MBio, 5, 2014
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1RWZ
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![BU of 1rwz by Molmil](/molmil-images/mine/1rwz) | Crystal Structure of Proliferating Cell Nuclear Antigen (PCNA) from A. fulgidus | Descriptor: | DNA polymerase sliding clamp | Authors: | Chapados, B.R, Hosfield, D.J, Han, S, Qiu, J, Yelent, B, Shen, B, Tainer, J.A. | Deposit date: | 2003-12-17 | Release date: | 2004-01-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for FEN-1 Substrate Specificity and PCNA-Mediated Activation in DNA Replication and Repair Cell(Cambridge,Mass.), 116, 2004
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1RXM
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![BU of 1rxm by Molmil](/molmil-images/mine/1rxm) | C-terminal region of FEN-1 bound to A. fulgidus PCNA | Descriptor: | DNA polymerase sliding clamp, consensus FEN-1 peptide | Authors: | Chapados, B.R, Hosfield, D.J, Han, S, Qiu, J, Yelent, B, Shen, B, Tainer, J.A. | Deposit date: | 2003-12-18 | Release date: | 2004-01-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for FEN-1 Substrate Specificity and PCNA-Mediated Activation in DNA Replication and Repair Cell(Cambridge,Mass.), 116, 2004
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