1UUX
 
 | | Structure of a molybdopterin-bound cnx1g domain links molybdenum and copper metabolism | | Descriptor: | COPPER (I) ION, FORMIC ACID, IMIDAZOLE, ... | | Authors: | Kuper, J, Llamas, A, Hecht, H.J, Mendel, R.R, Schwarz, G. | | Deposit date: | 2004-01-12 | | Release date: | 2004-08-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of a Molybdopterin-Bound Cnx1G Domain Links Molybdenum and Copper Metabolism
Nature, 430, 2004
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1UPD
 | | Oxidized STRUCTURE OF CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 AT PH 7.6 | | Descriptor: | CYTOCHROME C3, HEME C | | Authors: | Bento, I, Matias, P.M, Baptista, A.M, Da Costa, P.N, Van Dongen, W.M.A.M, Saraiva, L.M, Schneider, T.R, Soares, C.M, Carrondo, M.A. | | Deposit date: | 2003-09-29 | | Release date: | 2004-09-30 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular Basis for Redox-Bohr and Cooperative Effects in Cytochrome C3 from Desulfovibrio Desulfuricans Atcc 27774: Crystallographic and Modeling Studies of Oxidized and Reduced High-Resolution Structures at Ph 7.6
Proteins, 54, 2004
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1NC1
 | | Crystal structure of E. coli MTA/AdoHcy nucleosidase complexed with 5'-methylthiotubercidin (MTH) | | Descriptor: | 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, MTA/SAH nucleosidase | | Authors: | Lee, J.E, Cornell, K.A, Riscoe, M.K, Howell, P.L. | | Deposit date: | 2002-12-04 | | Release date: | 2003-11-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Escherichia coli 5'-methylthioadenosine/ S-adenosylhomocysteine nucleosidase inhibitor complexes provide insight into the conformational changes required for substrate binding and catalysis.
J.Biol.Chem., 278, 2003
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1UUY
 | | Structure of a molybdopterin-bound cnx1g domain links molybdenum and copper metabolism | | Descriptor: | ADENOSINE MONOPHOSPHATE, COPPER (I) ION, FORMIC ACID, ... | | Authors: | Kuper, J, Llamas, A, Hecht, H.J, Mendel, R.R, Schwarz, G. | | Deposit date: | 2004-01-12 | | Release date: | 2004-08-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of a Molybdopterin-Bound Cnx1G Domain Links Molybdenum and Copper Metabolism
Nature, 430, 2004
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1XDQ
 | | Structural and Biochemical Identification of a Novel Bacterial Oxidoreductase | | Descriptor: | Bacterial Sulfite Oxidase, MOLYBDENUM ATOM, OXYGEN ATOM, ... | | Authors: | Loschi, L, Brokx, S.J, Hills, T.L, Zhang, G, Bertero, M.G, Lovering, A.L, Weiner, J.H, Strynadka, N.C. | | Deposit date: | 2004-09-07 | | Release date: | 2004-10-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural and biochemical identification of a novel bacterial oxidoreductase.
J.Biol.Chem., 279, 2004
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2IBK
 | | Bypass of Major Benzopyrene-dG Adduct by Y-Family DNA Polymerase with Unique Structural Gap | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 1,2-ETHANEDIOL, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*AP*T)-3', ... | | Authors: | Bauer, J, Ling, H, Sayer, J.M, Xing, G, Yagi, H, Jerina, D.M. | | Deposit date: | 2006-09-11 | | Release date: | 2007-09-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A structural gap in Dpo4 supports mutagenic bypass of a major benzo[a]pyrene dG adduct in DNA through template misalignment.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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1KZL
 | | Riboflavin Synthase from S.pombe bound to Carboxyethyllumazine | | Descriptor: | 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID, MERCURY (II) ION, Riboflavin Synthase | | Authors: | Gerhardt, S, Schott, A.K, Kairies, N, Cushman, M, Illarionov, B, Eisenreich, W, Bacher, A, Huber, R, Steinbacher, S, Fischer, M. | | Deposit date: | 2002-02-07 | | Release date: | 2002-11-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Studies on the Reaction Mechanism of Riboflavin Synthase; X-Ray Crystal Structure of a Complex with 6-Carboxyethyl-7-Oxo-8-Ribityllumazine
STRUCTURE, 10, 2002
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1Q83
 | | Crystal structure of the mouse acetylcholinesterase-TZ2PA6 syn complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM, Acetylcholinesterase, ... | | Authors: | Bourne, Y, Kolb, H.C, Radic, Z, Sharpless, K.B, Taylor, P, Marchot, P. | | Deposit date: | 2003-08-20 | | Release date: | 2004-02-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Freeze-frame inhibitor captures acetylcholinesterase in a unique conformation.
Proc.Natl.Acad.Sci.Usa, 101, 2004
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1HR2
 | | CRYSTAL STRUCTURE ANALYSIS OF A MUTANT P4-P6 DOMAIN (DELC209) OF TETRAHYMENA THEMOPHILA GROUP I INTRON. | | Descriptor: | MAGNESIUM ION, P4-P6 DELC209 MUTANT RNA RIBOZYME DOMAIN | | Authors: | Juneau, K, Podell, E.R, Harrington, D.J, Cech, T.R. | | Deposit date: | 2000-12-20 | | Release date: | 2001-04-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis of the enhanced stability of a mutant ribozyme domain and a detailed view of RNA--solvent interactions.
Structure, 9, 2001
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1TDB
 | | STRUCTURES OF THYMIDYLATE SYNTHASE WITH A C-TERMINAL DELETION: ROLE OF THE C-TERMINUS IN ALIGNMENT OF D/UMP AND CH2H4FOLATE | | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M. | | Deposit date: | 1993-02-15 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structures of thymidylate synthase with a C-terminal deletion: role of the C-terminus in alignment of 2'-deoxyuridine 5'-monophosphate and 5,10-methylenetetrahydrofolate.
Biochemistry, 32, 1993
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1ZSQ
 | | Crystal Structure of MTMR2 in complex with phosphatidylinositol 3-phosphate | | Descriptor: | 1,2-ETHANEDIOL, 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE, Myotubularin-related protein 2 | | Authors: | Begley, M.J, Taylor, G.S, Brock, M.A, Ghosh, P, Woods, V.L, Dixon, J.E. | | Deposit date: | 2005-05-25 | | Release date: | 2006-01-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Molecular basis for substrate recognition by MTMR2, a myotubularin family phosphoinositide phosphatase
Proc.Natl.Acad.Sci.Usa, 103, 2006
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1ZTF
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1QBT
 | | HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY | | Descriptor: | HIV-1 PROTEASE, [4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE] | | Authors: | Ala, P, Chang, C.-H. | | Deposit date: | 1997-04-25 | | Release date: | 1997-10-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cyclic urea amides: HIV-1 protease inhibitors with low nanomolar potency against both wild type and protease inhibitor resistant mutants of HIV.
J.Med.Chem., 40, 1997
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1ZZU
 | | Rat nNOS D597N/M336V double mutant with L-N(omega)-Nitroarginine-2,4-L-Diaminobutyric Amide Bound | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ... | | Authors: | Li, H, Flinspach, M.L, Igarashi, J, Jamal, J, Yang, W, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | | Deposit date: | 2005-06-14 | | Release date: | 2005-12-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Exploring the Binding Conformations of Bulkier Dipeptide Amide Inhibitors in Constitutive Nitric Oxide Synthases.
Biochemistry, 44, 2005
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2I3Z
 | | rat DPP-IV with xanthine mimetic inhibitor #7 | | Descriptor: | 2-[(3S)-3-AMINOPIPERIDIN-1-YL]-1-(2-CYANOBENZYL)-5-METHYL-4,6-DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-D]IMIDAZOL-1-IUM, Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV) | | Authors: | Kurukulasuriya, R, Rohde, J.J, Szczepankiewicz, B.G, Basha, F, Lai, C, Winn, M, Stewart, K.D, Longenecker, K.L, Lubben, T.W, Ballaron, S.J, Sham, H.L, VonGeldern, T.W. | | Deposit date: | 2006-08-21 | | Release date: | 2006-12-12 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Xanthine mimetics as potent dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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2IBZ
 | | Yeast Cytochrome BC1 Complex with Stigmatellin | | Descriptor: | 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL, Cytochrome b, Cytochrome c1, ... | | Authors: | Hunte, C. | | Deposit date: | 2006-09-12 | | Release date: | 2007-03-20 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Comparison of Stigmatellin Conformations, Free and Bound to the Photosynthetic Reaction Center and the Cytochrome bc(1) Complex.
J.Mol.Biol., 368, 2007
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1UP9
 | | REDUCED STRUCTURE OF CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 AT PH 7.6 | | Descriptor: | CYTOCHROME C3, HEME C, SULFATE ION | | Authors: | Bento, I, Matias, P.M, Baptista, A.M, Da Costa, P.N, Van Dongen, W.M.A.M, Saraiva, L.M, Schneider, T.R, Soares, C.M, Carrondo, M.A. | | Deposit date: | 2003-09-29 | | Release date: | 2004-09-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Molecular Basis for Redox-Bohr and Cooperative Effects in Cytochrome C3 from Desulfovibrio Desulfuricans Atcc 27774: Crystallographic and Modeling Studies of Oxidized and Reduced High-Resolution Structures at Ph 7.6
Proteins, 54, 2004
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1UU3
 | | Structure of human PDK1 kinase domain in complex with LY333531 | | Descriptor: | (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE, 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, GLYCEROL, ... | | Authors: | Komander, D, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Garrido-Franco, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | | Deposit date: | 2003-12-15 | | Release date: | 2004-03-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1
Structure, 12, 2004
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1NPA
 | | crystal structure of HIV-1 protease-hup | | Descriptor: | (3S)-TETRAHYDROFURAN-3-YL (1R,2S)-3-[4-((1R)-2-{[(S)-AMINO(HYDROXY)METHYL]OXY}-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXOPYRROLIDIN-2-YL]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, POL polyprotein | | Authors: | Smith III, A.B, Hirschmann, R, Pasternak, A, Yao, W, Sprengeler, P.A, Holloway, M.K, Kuo, L.C, Chen, Z, Darke, P.L, Schleif, W.A. | | Deposit date: | 2003-01-17 | | Release date: | 2004-01-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An orally bioavailable pyrrolinone inhibitor of HIV-1 protease: computational analysis and X-ray crystal structure of the enzyme complex.
J.MED.CHEM., 40, 1997
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2KSQ
 | | The myristoylated yeast ARF1 in a GTP and bicelle bound conformation | | Descriptor: | ADP-ribosylation factor 1, GUANOSINE-5'-TRIPHOSPHATE, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Authors: | Liu, Y, Kahn, R, Prestegard, J. | | Deposit date: | 2010-01-12 | | Release date: | 2010-07-07 | | Last modified: | 2011-07-27 | | Method: | SOLUTION NMR | | Cite: | Dynamic structure of membrane-anchored Arf*GTP.
Nat.Struct.Mol.Biol., 17, 2010
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2K8T
 | | Solution NMR structure of trans-4-hydroxynonenal derived dG adduct of (6R,8S,11R)-configuration opposite dC | | Descriptor: | (2S,5R)-5-pentyltetrahydrofuran-2-ol, 5'-D(*DGP*DCP*DTP*DAP*DGP*DCP*DGP*DAP*DGP*DTP*DCP*DC)-3', 5'-D(*DGP*DGP*DAP*DCP*DTP*DCP*DGP*DCP*DTP*DAP*DGP*DC)-3' | | Authors: | Huang, H, Wang, H, Qi, N, Lloyd, R.S, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2008-09-23 | | Release date: | 2008-11-04 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The stereochemistry of trans-4-hydroxynonenal-derived exocyclic 1,N2-2'-deoxyguanosine adducts modulates formation of interstrand cross-links in the 5'-CpG-3' sequence.
Biochemistry, 47, 2008
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1VBT
 | | Structure of cyclophilin complexed with sulfur-substituted tetrapeptide AAPF | | Descriptor: | CYCLOPHILIN A, SULFUR-SUBSTITUTED TETRAPEPTIDE | | Authors: | Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H. | | Deposit date: | 1998-06-16 | | Release date: | 1999-01-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Insight Into Conversion of Substrate to Inhibitor
To be Published
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1ZLT
 | | Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog | | Descriptor: | (4Z)-4-(2-AMINO-5-OXO-3,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE)-2,3-DICHLORO-4,5,6,7-TETRAHYDROPYRROLO[2,3-C]AZEPIN-8(1H)-ONE, SULFATE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Lee, C.C, Ng, K, Wan, Y, Gray, N, Spraggon, G. | | Deposit date: | 2005-05-09 | | Release date: | 2006-06-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog
To be Published
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2KP8
 | | Ligand bound to a model peptide that mimics the open fusogenic form | | Descriptor: | 5-{[(4'-methoxybiphenyl-4-yl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid, Model peptide | | Authors: | Olejniczak, E.T. | | Deposit date: | 2009-10-09 | | Release date: | 2010-01-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Non-peptide entry inhibitors of HIV-1 that target the gp41 coiled coil pocket.
Bioorg.Med.Chem.Lett., 20, 2010
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1V0O
 | | Structure of P. falciparum PfPK5-Indirubin-5-sulphonate ligand complex | | Descriptor: | 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID, CELL DIVISION CONTROL PROTEIN 2 HOMOLOG | | Authors: | Holton, S, Merckx, A, Burgess, D, Doerig, C, Noble, M, Endicott, J. | | Deposit date: | 2004-03-31 | | Release date: | 2004-04-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of P. Falciparum Pfpk5 Test the Cdk Regulation Paradigm and Suggest Mechanisms of Small Molecule Inhibition
Structure, 11, 2003
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