3B1U
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![BU of 3b1u by Molmil](/molmil-images/mine/3b1u) | Crystal structure of human peptidylarginine deiminase 4 in complex with o-F-amidine | Descriptor: | 2-{[(2S)-1-amino-5-{[(1Z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Protein-arginine deiminase type-4, ... | Authors: | Causey, C.P, Jones, J.E, Slack, J.L, Kamei, D, Jones Jr, L.E, Subramanian, V, Knuckley, B, Ebrahimi, P, Chumanevich, A.A, Luo, Y, Hashimoto, H, Shimizu, T, Sato, M, Hofseth, L.J, Thompson, P.R. | Deposit date: | 2011-07-13 | Release date: | 2011-10-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Development of N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-fluoro-1-iminoethyl)-l-ornithine Amide (o-F-amidine) and N-alpha-(2-Carboxyl)benzoyl-N(5)-(2-chloro-1-iminoethyl)-l-ornithine Amide (o-Cl-amidine) As Second Generation Protein Arginine Deiminase (PAD) Inhibitors J.Med.Chem., 54, 2011
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2AJ1
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![BU of 2aj1 by Molmil](/molmil-images/mine/2aj1) | Solution structure of apoCadA | Descriptor: | Probable cadmium-transporting ATPase | Authors: | Banci, L, Bertini, I, Ciofi-Baffoni, S, Su, X.-C, Miras, R, Bal, N, Mintz, E, Catty, P, Shokes, J.E, Scott, R.A. | Deposit date: | 2005-08-01 | Release date: | 2006-05-02 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural basis for metal binding specificity: the N-terminal cadmium binding domain of the P1-type ATPase CadA J.Mol.Biol., 356, 2006
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3QAX
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3BGF
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5OD5
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![BU of 5od5 by Molmil](/molmil-images/mine/5od5) | Periplasmic binding protein CeuE complexed with a synthetic catalyst | Descriptor: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 4-(aminomethyl)-~{N}-(pyridin-2-ylmethyl)benzenesulfonamide, Azotochelin, ... | Authors: | Duhme-Klair, A.K, Raines, D.J, Clarke, J.E, Blagova, E.V, Dodson, E.J, Wilson, K.S. | Deposit date: | 2017-07-04 | Release date: | 2018-08-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Redox-switchable siderophore anchor enables reversible artificial metalloenzyme assembly Nat Catal, 2018
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5OFW
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![BU of 5ofw by Molmil](/molmil-images/mine/5ofw) | Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 3-Chloro-4-fluorobenzamide | Descriptor: | 3-chloranyl-4-fluoranyl-benzamide, D-3-phosphoglycerate dehydrogenase | Authors: | Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J. | Deposit date: | 2017-07-11 | Release date: | 2017-08-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer. Oncotarget, 9, 2018
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4NFU
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![BU of 4nfu by Molmil](/molmil-images/mine/4nfu) | Structure of the central plant immunity signaling node EDS1 in complex with its interaction partner SAG101 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, EDS1, ISOPROPYL ALCOHOL, ... | Authors: | Wagner, S, Stuttmann, J, Rietz, S, Guerois, R, Niefind, K, Parker, J.E. | Deposit date: | 2013-11-01 | Release date: | 2013-12-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural Basis for Signaling by Exclusive EDS1 Heteromeric Complexes with SAG101 or PAD4 in Plant Innate Immunity. Cell Host Microbe, 14, 2013
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2AJ0
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![BU of 2aj0 by Molmil](/molmil-images/mine/2aj0) | Solution structure of apoCadA | Descriptor: | Probable cadmium-transporting ATPase | Authors: | Banci, L, Bertini, I, Ciofi-Baffoni, S, Su, X.-C, Miras, R, Bal, N, Mintz, E, Catty, P, Shokes, J.E, Scott, R.A. | Deposit date: | 2005-08-01 | Release date: | 2006-05-02 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural basis for metal binding specificity: the N-terminal cadmium binding domain of the P1-type ATPase CadA J.Mol.Biol., 356, 2006
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2AUQ
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![BU of 2auq by Molmil](/molmil-images/mine/2auq) | HbI (F97V) CO bound | Descriptor: | CARBON MONOXIDE, Globin I, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Knapp, J.E, Bonham, M.A, Gibson, Q.H, Nichols, J.C, Royer Jr, W.E. | Deposit date: | 2005-08-28 | Release date: | 2006-03-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Residue F4 plays a key role in modulating oxygen affinity and cooperativity in Scapharca dimeric hemoglobin Biochemistry, 44, 2005
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4ITR
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4IXQ
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![BU of 4ixq by Molmil](/molmil-images/mine/4ixq) | RT fs X-ray diffraction of Photosystem II, dark state | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Alonso-Mori, R, Tran, R, Hattne, J, Gildea, R.J, Echols, N, Gloeckner, C, Hellmich, J, Laksmono, H, Sierra, R.G, Lassalle-Kaiser, B, Koroidov, S, Lampe, A, Han, G, Gul, S, DiFiore, D, Milathianaki, D, Fry, A.R, Miahnahri, A, Schafer, D.W, Messerschmidt, M, Seibert, M.M, Koglin, J.E, Sokaras, D, Weng, T.-C, Sellberg, J, Latimer, M.J, Grosse-Kunstleve, R.W, Zwart, P.H, White, W.E, Glatzel, P, Adams, P.D, Bogan, M.J, Williams, G.J, Boutet, S, Messinger, J, Zouni, A, Sauter, N.K, Yachandra, V.K, Bergmann, U, Yano, J. | Deposit date: | 2013-01-27 | Release date: | 2013-02-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (5.7 Å) | Cite: | Simultaneous femtosecond X-ray spectroscopy and diffraction of photosystem II at room temperature. Science, 340, 2013
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3TIO
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![BU of 3tio by Molmil](/molmil-images/mine/3tio) | Crystal structures of yrdA from Escherichia coli, a homologous protein of gamma-class carbonic anhydrase, show possible allosteric conformations | Descriptor: | PHOSPHATE ION, Protein YrdA, ZINC ION | Authors: | Park, H.M, Choi, J.W, Lee, J.E, Jung, C.H, Kim, B.Y, Kim, J.S. | Deposit date: | 2011-08-21 | Release date: | 2012-08-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Structures of the gamma-class carbonic anhydrase homologue YrdA suggest a possible allosteric switch Acta Crystallogr.,Sect.D, 68, 2012
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3TIS
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![BU of 3tis by Molmil](/molmil-images/mine/3tis) | Crystal structures of yrdA from Escherichia coli, a homologous protein of gamma-class carbonic anhydrases, show possible allosteric conformations | Descriptor: | Protein YrdA, ZINC ION | Authors: | Park, H.M, Chio, J.W, Lee, J.E, Jung, J.H, Kim, B.Y, Kim, J.S. | Deposit date: | 2011-08-21 | Release date: | 2012-08-01 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of the gamma-class carbonic anhydrase homologue YrdA suggest a possible allosteric switch Acta Crystallogr.,Sect.D, 68, 2012
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2AUO
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![BU of 2auo by Molmil](/molmil-images/mine/2auo) | Residue F4 plays a key role in modulating the oxygen affinity and cooperatrivity in Scapharca dimeric hemoglobin | Descriptor: | CARBON MONOXIDE, Globin I, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Knapp, J.E, Bonham, M.A, Gibson, Q.H, Nichols, J.C, Royer Jr, W.E. | Deposit date: | 2005-08-28 | Release date: | 2006-03-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Residue F4 plays a key role in modulating oxygen affinity and cooperativity in Scapharca dimeric hemoglobin Biochemistry, 44, 2005
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2AV0
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![BU of 2av0 by Molmil](/molmil-images/mine/2av0) | F97L with CO bound | Descriptor: | CARBON MONOXIDE, Globin I, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Knapp, J.E, Bonham, M.A, Gibson, Q.H, Nichols, J.C, Royer Jr, W.E. | Deposit date: | 2005-08-29 | Release date: | 2006-03-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Residue F4 plays a key role in modulating oxygen affinity and cooperativity in Scapharca dimeric hemoglobin Biochemistry, 44, 2005
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3B58
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![BU of 3b58 by Molmil](/molmil-images/mine/3b58) | Minimally Junctioned Hairpin Ribozyme Incorporates A38G Mutation and a 2',5'-Phosphodiester Linkage at the Active Site | Descriptor: | 29-mer Loop A and Loop B Ribozyme strand, COBALT HEXAMMINE(III), Loop A Substrate strand, ... | Authors: | MacElrevey, C, Krucinska, J, Wedekind, J.E. | Deposit date: | 2007-10-25 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural effects of nucleobase variations at key active site residue Ade38 in the hairpin ribozyme. Rna, 14, 2008
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3B91
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![BU of 3b91 by Molmil](/molmil-images/mine/3b91) | Minimally Hinged Hairpin Ribozyme Incorporates Ade38(2AP) and 2',5'-Phosphodiester Linkage Mutations at the Active Site | Descriptor: | 29-mer Loop A and Loop B Ribozyme strand, COBALT HEXAMMINE(III), Loop A Substrate strand, ... | Authors: | MacElrevey, C, Krucinska, J, Wedekind, J.E. | Deposit date: | 2007-11-02 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural effects of nucleobase variations at key active site residue Ade38 in the hairpin ribozyme. Rna, 14, 2008
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3P1M
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![BU of 3p1m by Molmil](/molmil-images/mine/3p1m) | Crystal structure of human ferredoxin-1 (FDX1) in complex with iron-sulfur cluster | Descriptor: | Adrenodoxin, mitochondrial, CITRATE ANION, ... | Authors: | Chaikuad, A, Johansson, C, Krojer, T, Yue, W.W, Phillips, C, Bray, J.E, Pike, A.C.W, Muniz, J.R.C, Vollmar, M, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kavanagh, K, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2010-09-30 | Release date: | 2010-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Crystal structure of human ferredoxin-1 (FDX1) in complex with iron-sulfur cluster To be Published
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4JCY
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![BU of 4jcy by Molmil](/molmil-images/mine/4jcy) | Crystal structure of the Restriction-Modification Controller Protein C.Csp231I OR operator complex | Descriptor: | Csp231I C protein, DNA (5'-D(*AP*AP*AP*CP*TP*AP*AP*GP*AP*AP*AP*AP*TP*CP*TP*TP*AP*GP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*CP*TP*AP*AP*GP*AP*TP*TP*TP*TP*CP*TP*TP*AP*GP*TP*TP*T)-3'), ... | Authors: | Shevtsov, M.B, Streeter, S.D, Thresh, S.J, Mcgeehan, J.E, Kneale, G.G. | Deposit date: | 2013-02-22 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural analysis of DNA binding by C.Csp231I, a member of a novel class of R-M controller proteins regulating gene expression. Acta Crystallogr.,Sect.D, 71, 2015
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2C9W
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![BU of 2c9w by Molmil](/molmil-images/mine/2c9w) | CRYSTAL STRUCTURE OF SOCS-2 IN COMPLEX WITH ELONGIN-B AND ELONGIN-C AT 1.9A RESOLUTION | Descriptor: | NICKEL (II) ION, SULFATE ION, SUPPRESSOR OF CYTOKINE SIGNALING 2, ... | Authors: | Debreczeni, J.E, Bullock, A, Amos, A, Savitsky, P, Barr, A, Burgess, N, Sundstrom, M, Weigelt, J, Arrowsmith, C, Edwards, A, Knapp, S. | Deposit date: | 2005-12-14 | Release date: | 2006-02-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the SOCS2-elongin C-elongin B complex defines a prototypical SOCS box ubiquitin ligase. Proc. Natl. Acad. Sci. U.S.A., 103, 2006
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4JGS
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3B39
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3B5S
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![BU of 3b5s by Molmil](/molmil-images/mine/3b5s) | Minimally Hinged Hairpin Ribozyme Incorporates A38DAP Mutation and 2'-O-methyl Modification at the Active Site | Descriptor: | 29-mer Loop A and Loop B Ribozyme strand, COBALT HEXAMMINE(III), Loop A Substrate strand, ... | Authors: | MacElrevey, C, Krucinska, J, Wedekind, J.E. | Deposit date: | 2007-10-26 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural effects of nucleobase variations at key active site residue Ade38 in the hairpin ribozyme. Rna, 14, 2008
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3OTK
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![BU of 3otk by Molmil](/molmil-images/mine/3otk) | Structure and mechanisim of core 2 beta1,6-n-acetylglucosaminyltransferase: a Metal-ion independent gt-a glycosyltransferase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-1,3-galactosyl-O-glycosyl-glycoprotein beta-1,6-N-acetylglucosaminyltransferase, ... | Authors: | Pak, J.E, Rini, J.M. | Deposit date: | 2010-09-13 | Release date: | 2011-09-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and mechanistic characterization of leukocyte-type core 2 beta 1,6-N-acetylglucosaminyltransferase: a metal-ion-independent GT-A glycosyltransferase. J.Mol.Biol., 414, 2011
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2CYD
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![BU of 2cyd by Molmil](/molmil-images/mine/2cyd) | Crystal structure of Lithium bound rotor ring of the V-ATPase from Enterococcus hirae | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, LITHIUM ION, UNDECYL-MALTOSIDE, ... | Authors: | Murata, T, Yamato, I, Kakinuma, Y, Shirouzu, M, Walker, J.E, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-07-06 | Release date: | 2006-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of Lithium bound rotor ring of the V-ATPase from Enterococcus hirae To be Published
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