1RV7
 
 | | Crystal structures of a Multidrug-Resistant HIV-1 Protease Reveal an Expanded Active Site Cavity | | Descriptor: | N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, protease | | Authors: | Logsdon, B.C, Vickrey, J.F, Martin, P, Proteasa, G, Koepke, J.I, Terlecky, S.R, Wawrzak, Z, Winters, M.A, Merigan, T.C, Kovari, L.C. | | Deposit date: | 2003-12-12 | | Release date: | 2004-12-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of a multidrug-resistant human immunodeficiency virus type 1 protease reveal an expanded active-site cavity.
J.Virol., 78, 2004
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4I4H
 | | Crystal structure of CYP3A4 ligated to pyridine-substituted desoxyritonavir | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, pyridin-3-ylmethyl [(2R,5S)-5-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-D-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2012-11-27 | | Release date: | 2013-04-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Pyridine-Substituted Desoxyritonavir Is a More Potent Inhibitor of Cytochrome P450 3A4 than Ritonavir.
J.Med.Chem., 56, 2013
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2BPI
 | | Structure of Iron dependent superoxide dismutase from P. falciparum. | | Descriptor: | FE (III) ION, FE-SUPEROXIDE DISMUTASE | | Authors: | Boucher, I.W, Brannigan, J, Wilkinson, A.J, Brzozowski, M. | | Deposit date: | 2005-04-20 | | Release date: | 2006-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | The Crystal Structure of Superoxide Dismutase from Plasmodium Falciparum.
Bmc Struct.Biol., 6, 2006
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1ELV
 | | CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN COMPLEMENT C1S PROTEASE | | Descriptor: | 2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, COMPLEMENT C1S COMPONENT, ... | | Authors: | Gaboriaud, C, Rossi, V, Bally, I, Arlaud, G, Fontecilla-Camps, J.-C. | | Deposit date: | 2000-03-14 | | Release date: | 2001-03-14 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of the catalytic domain of human complement c1s: a serine protease with a handle.
EMBO J., 19, 2000
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1C1E
 | | CRYSTAL STRUCTURE OF A DIELS-ALDERASE CATALYTIC ANTIBODY 1E9 IN COMPLEX WITH ITS HAPTEN | | Descriptor: | 1,7,8,9,10,10-HEXACHLORO-4-METHYL-4-AZA-TRICYCLO[5.2.1.0(2,6)]DEC-8-ENE-3,5-DIONE, CATALYTIC ANTIBODY 1E9 (HEAVY CHAIN), CATALYTIC ANTIBODY 1E9 (LIGHT CHAIN), ... | | Authors: | Xu, J, Wilson, I.A. | | Deposit date: | 1999-07-22 | | Release date: | 2000-03-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Evolution of shape complementarity and catalytic efficiency from a primordial antibody template.
Science, 286, 1999
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1RH5
 | | The structure of a protein conducting channel | | Descriptor: | Preprotein translocase secE subunit, Preprotein translocase secY subunit, SecBeta | | Authors: | van den Berg, B, Clemons Jr, W.M, Collinson, I, Modis, Y, Hartmann, E, Harrison, S.C, Rapoport, T.A. | | Deposit date: | 2003-11-13 | | Release date: | 2004-01-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | X-ray structure of a protein-conducting channel
Nature, 427, 2004
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4I6O
 | | Crystal structure of chemically synthesized human anaphylatoxin C3a | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Complement C3 | | Authors: | Wang, C.I.A, Ghassemian, A, Collins, B, Lewis, R.J, Alewood, P.F, Durek, T. | | Deposit date: | 2012-11-29 | | Release date: | 2013-02-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Efficient chemical synthesis of human complement protein C3a.
Chem.Commun.(Camb.), 49, 2013
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2BVD
 | | HOW FAMILY 26 GLYCOSIDE HYDROLASES ORCHESTRATE CATALYSIS ON DIFFERENT POLYSACCHARIDES. STRUCTURE AND ACTIVITY OF A CLOSTRIDIUM THERMOCELLUM LICHENASE, CtLIC26A | | Descriptor: | (3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-D-glucopyranoside, ENDOGLUCANASE H | | Authors: | Taylor, E.J, Goyal, A, Guerreiro, C.I.P.D, Prates, J.A.M, Money, V.A, Ferry, N, Morland, C, Planas, A, Macdonald, J.A, Stick, R.V, Gilbert, H.J, Fontes, C.M.G.A, Davies, G.J. | | Deposit date: | 2005-06-27 | | Release date: | 2005-06-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | How Family 26 Glycoside Hydrolases Orchestrate Catalysis on Different Polysaccharides: Structure and Activity of a Clostridium Thermocellum Lichenase, Ctlic26A.
J.Biol.Chem., 280, 2005
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4JM6
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,4-diaminopyrimidine | | Descriptor: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-13 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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2AFE
 | | Solution Structure of Asl1650, an Acyl Carrier Protein from Anabaena sp. PCC 7120 with a Variant Phosphopantetheinylation-Site Sequence | | Descriptor: | protein Asl1650 | | Authors: | Johnson, M.A, Peti, W, Herrmann, T, Wilson, I.A, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2005-07-25 | | Release date: | 2005-08-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of Asl1650, an acyl carrier protein from Anabaena sp. PCC 7120 with a variant phosphopantetheinylation-site sequence
Protein Sci., 15, 2006
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1C2R
 | | MOLECULAR STRUCTURE OF CYTOCHROME C2 ISOLATED FROM RHODOBACTER CAPSULATUS DETERMINED AT 2.5 ANGSTROMS RESOLUTION | | Descriptor: | CYTOCHROME C2, HEME C | | Authors: | Benning, M.M, Wesenberg, G, Caffrey, M.S, Bartsch, R.G, Meyer, T.E, Cusanovich, M.A, Rayment, I, Holden, H.M. | | Deposit date: | 1991-03-19 | | Release date: | 1992-01-15 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular structure of cytochrome c2 isolated from Rhodobacter capsulatus determined at 2.5 A resolution.
J.Mol.Biol., 220, 1991
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1BRL
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241D
 | | EXTENSION OF THE FOUR-STRANDED INTERCALATED CYTOSINE MOTIF BY ADENINE.ADENINE BASE PAIRING IN THE CRYSTAL STRUCTURE OF D(CCCAAT) | | Descriptor: | DNA (5'-D(*CP*CP*CP*AP*AP*T)-3') | | Authors: | Berger, I, Kang, C, Fredian, A, Ratliff, R, Moyzis, R, Rich, A. | | Deposit date: | 1995-12-07 | | Release date: | 1996-04-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Extension of the four-stranded intercalated cytosine motif by adenine.adenine base pairing in the crystal structure of d(CCCAAT).
Nat.Struct.Biol., 2, 1995
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1C3B
 | | AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR, BENZO(B)THIOPHENE-2-BORONIC ACID (BZB) | | Descriptor: | BENZO[B]THIOPHENE-2-BORONIC ACID, CEPHALOSPORINASE | | Authors: | Powers, R.A, Blazquez, J, Weston, G.S, Morosini, M.I, Baquero, F, Shoichet, B.K. | | Deposit date: | 1999-07-27 | | Release date: | 1999-11-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The complexed structure and antimicrobial activity of a non-beta-lactam inhibitor of AmpC beta-lactamase.
Protein Sci., 8, 1999
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4B22
 | | Unprecedented sculpting of DNA at abasic sites by DNA glycosylase homolog Mag2 | | Descriptor: | 5'-D(*CP*GP*AP*TP*GP*GP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*TP*AP*CP*(3DR)P*CP*AP*TP*CP*GP)-3', MAG2, ... | | Authors: | Dalhus, B, Nilsen, L, Korvald, H, Huffman, J, Forstrom, R.J, McMurray, C.T, Alseth, I, Tainer, J.A, Bjoras, M. | | Deposit date: | 2012-07-12 | | Release date: | 2013-01-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Sculpting of DNA at Abasic Sites by DNA Glycosylase Homolog Mag2.
Structure, 21, 2013
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2A08
 | | Structure of the yeast YHH6 SH3 domain | | Descriptor: | Hypothetical 41.8 kDa protein in SPO13-ARG4 intergenic region | | Authors: | Kursula, P, Kursula, I, Song, Y.H, Lehmann, F, Zou, P, Wilmanns, M. | | Deposit date: | 2005-06-16 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | 3-D proteome of yeast SH3 domains
To be Published
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1HZ2
 | | SOLUTION NMR STRUCTURE OF SELF-COMPLEMENTARY DUPLEX 5'-D(AGGCG*CCT)2 CONTAINING A TRIMETHYLENE CROSSLINK AT THE N2 POSITION OF G*. MODEL OF A MALONDIALDEHYDE CROSSLINK | | Descriptor: | DNA (5'-D(*AP*GP*GP*CP*GP*CP*CP*T)-3'), PROPANE | | Authors: | Dooley, P.A, Tsarouhtsis, D, Korbel, G.A, Nechev, L.V, Shearer, J, Zegar, I.S, Harris, C.M, Stone, M.P, Harris, T.M. | | Deposit date: | 2001-01-23 | | Release date: | 2001-02-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural studies of an oligodeoxynucleotide containing a trimethylene interstrand cross-link in a 5'-(CpG) motif: model of a malondialdehyde cross-link.
J.Am.Chem.Soc., 123, 2001
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1RHT
 | | 24-MER RNA HAIRPIN COAT PROTEIN BINDING SITE FOR BACTERIOPHAGE R17 (NMR, MINIMIZED AVERAGE STRUCTURE) | | Descriptor: | RNA (5'-R(P*GP*GP*GP*AP*CP*UP*GP*AP*CP*GP*AP*UP*CP*AP*CP*GP*CP*AP*GP*UP*CP*UP*AP*U)-3') | | Authors: | Borer, P.N, Lin, Y, Wang, S, Roggenbuck, M.W, Gott, J.M, Uhlenbeck, O.C, Pelczer, I. | | Deposit date: | 1995-03-03 | | Release date: | 1995-06-03 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Proton NMR and structural features of a 24-nucleotide RNA hairpin.
Biochemistry, 34, 1995
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1HQD
 | | PSEUDOMONAS CEPACIA LIPASE COMPLEXED WITH TRANSITION STATE ANALOGUE OF 1-PHENOXY-2-ACETOXY BUTANE | | Descriptor: | (RP,SP)-O-(2R)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE, CALCIUM ION, LIPASE | | Authors: | Luic, M, Tomic, S, Lescic, I, Ljubovic, E, Sepac, D, Sunjic, V, Vitale, L, Saenger, W, Kojic-Prodic, B. | | Deposit date: | 2000-12-15 | | Release date: | 2001-08-22 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Complex of Burkholderia cepacia lipase with transition state analogue of 1-phenoxy-2-acetoxybutane: biocatalytic, structural and modelling study.
Eur.J.Biochem., 268, 2001
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1BUU
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1BXD
 | | NMR STRUCTURE OF THE HISTIDINE KINASE DOMAIN OF THE E. COLI OSMOSENSOR ENVZ | | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PROTEIN (OSMOLARITY SENSOR PROTEIN (ENVZ)) | | Authors: | Tanaka, T, Saha, S.K, Tomomori, C, Ishima, R, Liu, D, Tong, K.I, Park, H, Dutta, R, Qin, L, Swindells, M.B, Yamazaki, T, Ono, A.M, Kainosho, M, Inouye, M, Ikura, M. | | Deposit date: | 1998-10-02 | | Release date: | 1999-10-02 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | NMR structure of the histidine kinase domain of the E. coli osmosensor EnvZ.
Nature, 396, 1998
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1HX1
 | | CRYSTAL STRUCTURE OF A BAG DOMAIN IN COMPLEX WITH THE HSC70 ATPASE DOMAIN | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG family molecular chaperone regulator 1, Heat shock 70 kDa protein 8 | | Authors: | Sondermann, H, Scheufler, C, Moarefi, I. | | Deposit date: | 2001-01-11 | | Release date: | 2001-03-07 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of a Bag/Hsc70 complex: convergent functional evolution of Hsp70 nucleotide exchange factors.
Science, 291, 2001
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2AAE
 | | THE ROLE OF HISTIDINE-40 IN RIBONUCLEASE T1 CATALYSIS: THREE-DIMENSIONAL STRUCTURES OF THE PARTIALLY ACTIVE HIS40LYS MUTANT | | Descriptor: | CALCIUM ION, PHOSPHATE ION, RIBONUCLEASE T1 | | Authors: | Zegers, I, Verhelst, P, Choe, C.W, Steyaert, J, Heinemann, U, Wyns, L, Saenger, W. | | Deposit date: | 1992-09-15 | | Release date: | 1994-01-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of histidine-40 in ribonuclease T1 catalysis: three-dimensionalstructures of the partially active His40Lys mutant.
Biochemistry, 31, 1992
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1RPG
 | | STRUCTURES OF RNASE A COMPLEXED WITH 3'-CMP AND D(CPA): ACTIVE SITE CONFORMATION AND CONSERVED WATER MOLECULES | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-DEOXYCYTIDINE-2'-DEOXYADENOSINE-3',5'-MONOPHOSPHATE, RIBONUCLEASE A | | Authors: | Zegers, I, Wyns, L, Palmer, R. | | Deposit date: | 1994-08-29 | | Release date: | 1994-12-20 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The structures of RNase A complexed with 3'-CMP and d(CpA): active site conformation and conserved water molecules.
Protein Sci., 3, 1994
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1RBN
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