3BYJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3byj by Molmil](/molmil-images/mine/3byj) | |
3BZ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3bz0 by Molmil](/molmil-images/mine/3bz0) | Lactobacillus Casei Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative C00 | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase | Authors: | Leone, R, Cancian, L, Costi, M.P, Ferrari, S, Luciani, R, Mangani, S. | Deposit date: | 2008-01-17 | Release date: | 2009-01-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening J.Med.Chem., 54, 2011
|
|
3C8N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3c8n by Molmil](/molmil-images/mine/3c8n) | |
3BKK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3bkk by Molmil](/molmil-images/mine/3bkk) | Tesis ACE co-crystal structure with ketone ACE inhibitor kAF | 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, Angiotensin-converting enzyme, ... | Authors: | Watermeyer, J.M, Kroger, W.L, O'Neill, H.G, Sewell, B.T, Sturrock, E.D. | Deposit date: | 2007-12-07 | Release date: | 2008-06-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Probing the basis of domain-dependent inhibition using novel ketone inhibitors of Angiotensin-converting enzyme Biochemistry, 47, 2008
|
|
2N8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2n8u by Molmil](/molmil-images/mine/2n8u) | |
2NN7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nn7 by Molmil](/molmil-images/mine/2nn7) | Structure of inhibitor binding to Carbonic Anhydrase I | Descriptor: | Carbonic anhydrase 1, DIMETHYL SULFOXIDE, ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE, ... | Authors: | Christianson, D.W, Jude, K.M. | Deposit date: | 2006-10-23 | Release date: | 2007-05-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II. J.Am.Chem.Soc., 129, 2007
|
|
2NNT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nnt by Molmil](/molmil-images/mine/2nnt) | General structural motifs of amyloid protofilaments | Descriptor: | Transcription elongation regulator 1 | Authors: | Ferguson, N, Becker, J, Tidow, H, Tremmel, S, Sharpe, T.D, Krause, G, Flinders, J, Petrovich, M, Berriman, J, Oschkinat, H, Fersht, A.R. | Deposit date: | 2006-10-24 | Release date: | 2006-11-14 | Last modified: | 2023-12-27 | Method: | SOLID-STATE NMR | Cite: | General structural motifs of amyloid protofilaments. Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
3C9R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3c9r by Molmil](/molmil-images/mine/3c9r) | AaThiL complexed with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Thiamine monophosphate kinase | Authors: | McCulloch, K.M, Kinsland, C, Begley, T.P, Ealick, S.E. | Deposit date: | 2008-02-18 | Release date: | 2008-03-18 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural studies of thiamin monophosphate kinase in complex with substrates and products. Biochemistry, 47, 2008
|
|
3BL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3bl7 by Molmil](/molmil-images/mine/3bl7) | Synthetic Gene Encoded DcpS bound to inhibitor DG156844 | Descriptor: | 5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine, Scavenger mRNA-decapping enzyme DcpS | Authors: | Staker, B.L, Christensen, J, Stewart, L, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D) | Deposit date: | 2007-12-10 | Release date: | 2008-10-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | DcpS as a therapeutic target for spinal muscular atrophy. Acs Chem.Biol., 3, 2008
|
|
2NL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nl9 by Molmil](/molmil-images/mine/2nl9) | Crystal structure of the Mcl-1:Bim BH3 complex | Descriptor: | Bcl-2-like protein 11, CHLORIDE ION, FUSION PROTEIN CONSISTING OF Induced myeloid leukemia cell differentiation protein Mcl-1 homolog, ... | Authors: | Czabotar, P.E, Colman, P.M. | Deposit date: | 2006-10-19 | Release date: | 2007-03-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural insights into the degradation of Mcl-1 induced by BH3 domains. Proc.Natl.Acad.Sci.USA, 104, 2007
|
|
2NO5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2no5 by Molmil](/molmil-images/mine/2no5) | Crystal Structure analysis of a Dehalogenase with intermediate complex | Descriptor: | (2S)-2-CHLOROPROPANOIC ACID, (S)-2-haloacid dehalogenase IVA, CHLORIDE ION, ... | Authors: | Schmidberger, J.W, Wilce, M.C.J. | Deposit date: | 2006-10-24 | Release date: | 2007-09-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of the substrate free-enzyme, and reaction intermediate of the HAD superfamily member, haloacid dehalogenase DehIVa from Burkholderia cepacia MBA4 J.Mol.Biol., 368, 2007
|
|
3BTE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3bte by Molmil](/molmil-images/mine/3bte) | The Crystal Structures of the Complexes Between Bovine Beta-Trypsin and Ten P1 Variants of BPTI. | Descriptor: | CALCIUM ION, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION, ... | Authors: | Helland, R, Otlewski, J, Sundheim, O, Dadlez, M, Smalas, A.O. | Deposit date: | 1999-03-11 | Release date: | 2000-03-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The crystal structures of the complexes between bovine beta-trypsin and ten P1 variants of BPTI. J.Mol.Biol., 287, 1999
|
|
2NNG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nng by Molmil](/molmil-images/mine/2nng) | Structure of inhibitor binding to Carbonic Anhydrase II | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Christianson, D.W, Jude, K.M. | Deposit date: | 2006-10-24 | Release date: | 2007-05-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II. J.Am.Chem.Soc., 129, 2007
|
|
2NNS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nns by Molmil](/molmil-images/mine/2nns) | |
3BVD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3bvd by Molmil](/molmil-images/mine/3bvd) | Structure of Surface-engineered Cytochrome ba3 Oxidase from Thermus thermophilus under Xenon Pressure, 100psi 5min | Descriptor: | COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | Authors: | Luna, V.M, Chen, Y, Fee, J.A, Stout, C.D. | Deposit date: | 2008-01-07 | Release date: | 2008-05-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Crystallographic Studies of Xe and Kr Binding within the Large Internal Cavity of Cytochrome ba3 from Thermus thermophilus: Structural Analysis and Role of Oxygen Transport Channels in the Heme-Cu Oxidases. Biochemistry, 47, 2008
|
|
2NQ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nq2 by Molmil](/molmil-images/mine/2nq2) | An inward-facing conformation of a putative metal-chelate type ABC transporter. | Descriptor: | Hypothetical ABC transporter ATP-binding protein HI1470, Hypothetical ABC transporter permease protein HI1471 | Authors: | Pinkett, H.P, Lee, A.T, Lum, P, Locher, K.P, Rees, D.C. | Deposit date: | 2006-10-30 | Release date: | 2007-01-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An inward-facing conformation of a putative metal-chelate-type ABC transporter. Science, 315, 2007
|
|
3BRK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3brk by Molmil](/molmil-images/mine/3brk) | |
2NC4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nc4 by Molmil](/molmil-images/mine/2nc4) | Solution Structure of N-Galactosylated Pin1 WW Domain | Descriptor: | Pin1 WW Domain, beta-D-galactopyranose | Authors: | Hsu, C, Park, S, Mortenson, D.E, Foley, B, Wang, X, Woods, R.J, Case, D.A, Powers, E.T, Wong, C, Dyson, H, Kelly, J.W. | Deposit date: | 2016-03-20 | Release date: | 2016-06-08 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate. J.Am.Chem.Soc., 138, 2016
|
|
3BTG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3btg by Molmil](/molmil-images/mine/3btg) | THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI | Descriptor: | CALCIUM ION, PROTEIN (PANCREATIC TRYPSIN INHIBITOR), PROTEIN (TRYPSIN), ... | Authors: | Helland, R, Otlewski, J, Sundheim, O, Dadlez, M, Smalas, A.O. | Deposit date: | 1999-03-10 | Release date: | 2000-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structures of the complexes between bovine beta-trypsin and ten P1 variants of BPTI. J.Mol.Biol., 287, 1999
|
|
3BVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3bvh by Molmil](/molmil-images/mine/3bvh) | Crystal Structure of Recombinant gammaD364A Fibrinogen Fragment D with the Peptide Ligand Gly-Pro-Arg-Pro-Amide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-mer peptide GPRP, CALCIUM ION, ... | Authors: | Bowley, S.R, Merenbloom, B.K, Betts, L, Okumura, N, Heroux, A, Gorkun, O.V, Lord, S.T. | Deposit date: | 2008-01-07 | Release date: | 2008-09-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Polymerization-defective fibrinogen variant gammaD364A binds knob "A" peptide mimic. Biochemistry, 47, 2008
|
|
2NN1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nn1 by Molmil](/molmil-images/mine/2nn1) | Structure of inhibitor binding to Carbonic Anhydrase I | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID, Carbonic anhydrase 1, ... | Authors: | Christianson, D.W, Jude, K.M. | Deposit date: | 2006-10-23 | Release date: | 2007-04-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II J.Am.Chem.Soc., 129, 2007
|
|
2NQG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nqg by Molmil](/molmil-images/mine/2nqg) | Calpain 1 proteolytic core inactivated by WR18(S,S), an epoxysuccinyl-type inhibitor. | Descriptor: | 5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE, CALCIUM ION, Calpain-1 catalytic subunit | Authors: | Cuerrier, D, Davies, P.L, Campbell, R.L, Moldoveanu, T. | Deposit date: | 2006-10-31 | Release date: | 2007-01-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Development of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries J.Biol.Chem., 282, 2007
|
|
2ZCK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zck by Molmil](/molmil-images/mine/2zck) | Crystal structure of a ternary complex between PSA, a substrat-acyl intermediate and an activating antibody | Descriptor: | KGISSQY, Prostate-specific antigen, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Menez, R, Stura, E, Jolivet-Reynaud, C. | Deposit date: | 2007-11-09 | Release date: | 2008-01-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of a ternary complex between human prostate-specific antigen, its substrate acyl intermediate and an activating antibody J.Mol.Biol., 376, 2008
|
|
2NNO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nno by Molmil](/molmil-images/mine/2nno) | Structure of inhibitor binding to Carbonic Anhydrase II | Descriptor: | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Christianson, D.W, Jude, K.M. | Deposit date: | 2006-10-24 | Release date: | 2007-05-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II. J.Am.Chem.Soc., 129, 2007
|
|
2ZE2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ze2 by Molmil](/molmil-images/mine/2ze2) | Crystal structure of L100I/K103N mutant HIV-1 reverse transcriptase (RT) in complex with TMC278 (rilpivirine), a non-nucleoside RT inhibitor | Descriptor: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E. | Deposit date: | 2007-12-05 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations. Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|