1CK7
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![BU of 1ck7 by Molmil](/molmil-images/mine/1ck7) | GELATINASE A (FULL-LENGTH) | Descriptor: | CALCIUM ION, CHLORIDE ION, PROTEIN (GELATINASE A), ... | Authors: | Morgunova, E, Tuuttila, A, Bergmann, U, Isupov, M, Lindqvist, Y, Schneider, G, Tryggvason, K. | Deposit date: | 1999-04-28 | Release date: | 1999-08-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of human pro-matrix metalloproteinase-2: activation mechanism revealed. Science, 284, 1999
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1CZD
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![BU of 1czd by Molmil](/molmil-images/mine/1czd) | CRYSTAL STRUCTURE OF THE PROCESSIVITY CLAMP GP45 FROM BACTERIOPHAGE T4 | Descriptor: | DNA POLYMERASE ACCESSORY PROTEIN G45 | Authors: | Moarefi, I, Jeruzalmi, D, Turner, J, O'Donnell, M, Kuriyan, J. | Deposit date: | 1999-09-02 | Release date: | 2000-03-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of the DNA polymerase processivity factor of T4 bacteriophage. J.Mol.Biol., 296, 2000
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1D0A
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![BU of 1d0a by Molmil](/molmil-images/mine/1d0a) | STRUCTURE OF TNF RECEPTOR ASSOCIATED FACTOR 2 (TRAF2) IN COMPLEX WITH A HUMAN OX40 PEPTIDE | Descriptor: | OX40L RECEPTOR PEPTIDE, TUMOR NECROSIS FACTOR RECEPTOR ASSOCIATED PROTEIN 2 | Authors: | Ye, H, Park, Y.C, Kreishman, M, Kieff, E, Wu, H. | Deposit date: | 1999-09-09 | Release date: | 2000-03-08 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structural basis for the recognition of diverse receptor sequences by TRAF2. Mol.Cell, 4, 1999
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1M6K
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![BU of 1m6k by Molmil](/molmil-images/mine/1m6k) | Structure of the OXA-1 class D beta-lactamase | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, beta-lactamase OXA-1 | Authors: | Sun, T, Nukaga, M, Mayama, K, Braswell, E.H, Knox, J.R. | Deposit date: | 2002-07-16 | Release date: | 2003-01-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Comparison of beta-lactamases of classes A and D: 1.5A crystallographic structure of the class D OXA-1 oxacillinase PROTEIN SCI., 12, 2003
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1D32
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![BU of 1d32 by Molmil](/molmil-images/mine/1d32) | DRUG-INDUCED DNA REPAIR: X-RAY STRUCTURE OF A DNA-DITERCALINIUM COMPLEX | Descriptor: | DITERCALINIUM, DNA (5'-D(*CP*GP*CP*G)-3') | Authors: | Gao, Q, Williams, L.D, Egli, M, Rabinovich, D, Chen, S.-L, Quigley, G.J, Rich, A. | Deposit date: | 1991-01-23 | Release date: | 1992-04-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Drug-induced DNA repair: X-ray structure of a DNA-ditercalinium complex. Proc.Natl.Acad.Sci.USA, 88, 1991
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1D6G
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![BU of 1d6g by Molmil](/molmil-images/mine/1d6g) | |
1D8K
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![BU of 1d8k by Molmil](/molmil-images/mine/1d8k) | SOLUTION STRUCTURE OF THE CENTRAL CORE DOMAIN OF TFIIE BETA | Descriptor: | GENERAL TRANSCRIPTION FACTOR TFIIE-BETA | Authors: | Okuda, M, Watanabe, Y, Okamura, H, Hanaoka, F, Ohkuma, Y, Nishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 1999-10-25 | Release date: | 2000-04-26 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of the central core domain of TFIIEbeta with a novel double-stranded DNA-binding surface. EMBO J., 19, 2000
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5D3N
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![BU of 5d3n by Molmil](/molmil-images/mine/5d3n) | First bromodomain of BRD4 bound to inhibitor XD40 | Descriptor: | 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Huegle, M. | Deposit date: | 2015-08-06 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5D3T
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![BU of 5d3t by Molmil](/molmil-images/mine/5d3t) | First bromodomain of BRD4 bound to inhibitor XD47 | Descriptor: | 1,2-ETHANEDIOL, 4-acetyl-N-(3-carbamoylbenzyl)-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ... | Authors: | Wohlwend, D, Huegle, M. | Deposit date: | 2015-08-06 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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1CT4
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![BU of 1ct4 by Molmil](/molmil-images/mine/1ct4) | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-VAL18I IN COMPLEX WITH SGPB | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | Deposit date: | 1999-08-18 | Release date: | 2000-01-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB. Protein Sci., 9, 2000
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2P1X
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![BU of 2p1x by Molmil](/molmil-images/mine/2p1x) | |
1CPZ
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![BU of 1cpz by Molmil](/molmil-images/mine/1cpz) | |
5D8S
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![BU of 5d8s by Molmil](/molmil-images/mine/5d8s) | 2.55A resolution structure of BfrB (E85A) from Pseudomonas aeruginosa | Descriptor: | Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | Deposit date: | 2015-08-17 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots. Biochemistry, 54, 2015
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1D0J
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![BU of 1d0j by Molmil](/molmil-images/mine/1d0j) | STRUCTURE OF TNF RECEPTOR ASSOCIATED FACTOR 2 IN COMPLEX WITH A M4-1BB PEPTIDE | Descriptor: | 4-1BB LIGAND RECEPTOR, TUMOR NECROSIS FACTOR RECEPTOR ASSOCIATED PROTEIN 2 | Authors: | Ye, H, Park, Y.C, Kreishman, M, Kieff, E, Wu, H. | Deposit date: | 1999-09-10 | Release date: | 2000-03-08 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structural basis for the recognition of diverse receptor sequences by TRAF2. Mol.Cell, 4, 1999
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1D13
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![BU of 1d13 by Molmil](/molmil-images/mine/1d13) | MOLECULAR STRUCTURE OF AN A-DNA DECAMER D(ACCGGCCGGT) | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*GP*CP*CP*GP*GP*T)-3') | Authors: | Frederick, C.A, Quigley, G.J, Teng, M.-K, Coll, M, Van Der Marel, G.A, Van Boom, J.H, Rich, A, Wang, A.H.-J. | Deposit date: | 1989-10-20 | Release date: | 1990-10-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Molecular structure of an A-DNA decamer d(ACCGGCCGGT). Eur.J.Biochem., 181, 1989
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5R1R
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![BU of 5r1r by Molmil](/molmil-images/mine/5r1r) | RIBONUCLEOTIDE REDUCTASE E441A MUTANT R1 PROTEIN FROM ESCHERICHIA COLI | Descriptor: | RIBONUCLEOTIDE REDUCTASE R1 PROTEIN, RIBONUCLEOTIDE REDUCTASE R2 PROTEIN | Authors: | Eriksson, M, Eklund, H. | Deposit date: | 1997-09-17 | Release date: | 1998-03-18 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A new mechanism-based radical intermediate in a mutant R1 protein affecting the catalytically essential Glu441 in Escherichia coli ribonucleotide reductase. J.Biol.Chem., 272, 1997
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1D61
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![BU of 1d61 by Molmil](/molmil-images/mine/1d61) | THE STRUCTURE OF THE B-DNA DECAMER C-C-A-A-C-I-T-T-G-G: MONOCLINIC FORM | Descriptor: | CACODYLATE ION, CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*CP*IP*TP*TP*GP*G)-3') | Authors: | Lipanov, A, Kopka, M.L, Kaczor-Grzeskowiak, M, Quintana, J, Dickerson, R.E. | Deposit date: | 1992-02-26 | Release date: | 1993-04-15 | Last modified: | 2023-07-26 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of the B-DNA decamer C-C-A-A-C-I-T-T-G-G in two different space groups: conformational flexibility of B-DNA. Biochemistry, 32, 1993
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5VJF
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![BU of 5vjf by Molmil](/molmil-images/mine/5vjf) | Class II fructose-1,6-bisphosphate aldolase of Helicobacter pylori with DHAP | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, CALCIUM ION, Fructose-bisphosphate aldolase, ... | Authors: | Coincon, M, Sygusch, J. | Deposit date: | 2017-04-19 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases. J. Biol. Chem., 293, 2018
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7MLF
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![BU of 7mlf by Molmil](/molmil-images/mine/7mlf) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C7 | Descriptor: | 3C-like proteinase, N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide | Authors: | Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M. | Deposit date: | 2021-04-28 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors. Eur.J.Med.Chem., 229, 2021
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5VK1
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7MLG
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![BU of 7mlg by Molmil](/molmil-images/mine/7mlg) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) Covalently Bound to Compound C63 | Descriptor: | (2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide, 3C-like proteinase | Authors: | Sharon, I, Stille, J, Tjutrins, J, Wang, G, Venegas, F.A, Hennecker, C, Rueda, A.M, Miron, C.E, Pinus, S, Labarre, A, Patrascu, M.B, Vlaho, D, Huot, M, Mittermaier, A.K, Moitessier, N, Schmeing, T.M. | Deposit date: | 2021-04-28 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors. Eur.J.Med.Chem., 229, 2021
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1CT2
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![BU of 1ct2 by Molmil](/molmil-images/mine/1ct2) | CRYSTAL STRUCTURE OF THE OMTKY3 P1 VARIANT OMTKY3-THR18I IN COMPLEX WITH SGPB | Descriptor: | OVOMUCOID INHIBITOR, PROTEINASE B | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N. | Deposit date: | 1999-08-18 | Release date: | 2000-01-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Deleterious effects of beta-branched residues in the S1 specificity pocket of Streptomyces griseus proteinase B (SGPB): crystal structures of the turkey ovomucoid third domain variants Ile18I, Val18I, Thr18I, and Ser18I in complex with SGPB. Protein Sci., 9, 2000
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5VRK
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![BU of 5vrk by Molmil](/molmil-images/mine/5vrk) | Crystal structure of SsoPox AsA6 mutant (F46L-C258A-W263M-I280T) - open form | Descriptor: | 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ... | Authors: | Hiblot, J, Gotthard, G, Jacquet, P, Daude, D, Bergonzi, C, Chabriere, E, Elias, M. | Deposit date: | 2017-05-10 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase. Sci Rep, 7, 2017
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3OE4
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![BU of 3oe4 by Molmil](/molmil-images/mine/3oe4) | Rat catechol O-methyltransferase in complex with a catechol-type, purine-containing bisubstrate inhibitor - humanized form | Descriptor: | Catechol O-methyltransferase, MAGNESIUM ION, N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-purin-9-yl-oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide | Authors: | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | Deposit date: | 2010-08-12 | Release date: | 2011-03-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors Chemistry, 17, 2011
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5VI5
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![BU of 5vi5 by Molmil](/molmil-images/mine/5vi5) | Structure of Mycobacterium smegmatis transcription initiation complex with a full transcription bubble | Descriptor: | 1,2-ETHANEDIOL, DNA (44-MER), DNA (49-MER), ... | Authors: | Darst, S.A, Campbell, E.A, Lilic, M. | Deposit date: | 2017-04-14 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.196 Å) | Cite: | Structural insights into the mycobacteria transcription initiation complex from analysis of X-ray crystal structures. Nat Commun, 8, 2017
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