1O2O
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![BU of 1o2o by Molmil](/molmil-images/mine/1o2o) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, W.F, Hui, H, Breitenbucher, G, Allen, D, Janc, J. | Deposit date: | 2003-03-06 | Release date: | 2003-05-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating
Binding of Active Site-Directed Serine Protease Inhibitors J.Mol.Biol., 329, 2003
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5M92
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![BU of 5m92 by Molmil](/molmil-images/mine/5m92) | PCE reductive dehalogenase from S. multivorans in complex with 2,4-dibromophenol | Descriptor: | 2,4-bis(bromanyl)phenol, BENZAMIDINE, BROMIDE ION, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-31 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.785 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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1CK1
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1O2I
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![BU of 1o2i by Molmil](/molmil-images/mine/1o2i) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, W.F, Hui, H, Breitenbucher, G, Allen, D, Janc, J. | Deposit date: | 2003-03-06 | Release date: | 2003-05-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating
Binding of Active Site-Directed Serine Protease Inhibitors J.Mol.Biol., 329, 2003
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1O2N
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![BU of 1o2n by Molmil](/molmil-images/mine/1o2n) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION, ... | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, W.F, Hui, H, Breitenbucher, G, Allen, D, Janc, J. | Deposit date: | 2003-03-06 | Release date: | 2003-05-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating
Binding of Active Site-Directed Serine Protease Inhibitors J.Mol.Biol., 329, 2003
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7P00
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![BU of 7p00 by Molmil](/molmil-images/mine/7p00) | Human Neurokinin 1 receptor (NK1R) substance P Gq chimera (mGsqi) complex | Descriptor: | Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Thom, C, Ehrenmann, J, Vacca, S, Waltenspuhl, Y, Schoppe, J, Medalia, O, Pluckthun, A. | Deposit date: | 2021-06-29 | Release date: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.71 Å) | Cite: | Structures of neurokinin 1 receptor in complex with G q and G s proteins reveal substance P binding mode and unique activation features. Sci Adv, 7, 2021
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7P02
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![BU of 7p02 by Molmil](/molmil-images/mine/7p02) | Human Neurokinin 1 receptor (NK1R) substance P Gs complex | Descriptor: | Antibody fragment scFv16, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Thom, C, Ehrenmann, J, Vacca, S, Waltenspuhl, Y, Schoppe, J, Medalia, O, Pluckthun, A. | Deposit date: | 2021-06-29 | Release date: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Structures of neurokinin 1 receptor in complex with G q and G s proteins reveal substance P binding mode and unique activation features. Sci Adv, 7, 2021
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1O2L
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![BU of 1o2l by Molmil](/molmil-images/mine/1o2l) | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | Descriptor: | 3-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION | Authors: | Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, W.F, Hui, H, Breitenbucher, G, Allen, D, Janc, J. | Deposit date: | 2003-03-06 | Release date: | 2003-05-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating
Binding of Active Site-Directed Serine Protease Inhibitors J.Mol.Biol., 329, 2003
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7BX7
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1H4H
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![BU of 1h4h by Molmil](/molmil-images/mine/1h4h) | Oligosaccharide-binding to family 11 xylanases: both covalent intermediate and mutant-product complexes display 2,5B conformations at the active-centre | Descriptor: | XYLANASE, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose | Authors: | Sabini, E, Wilson, K.S, Danielsen, S, Schulein, M, Davies, G.J. | Deposit date: | 2001-05-11 | Release date: | 2002-05-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Catalysis and Specificity in Enzymatic Glycoside Hydrolysis: A 2,5B Conformation for the Glycosyl-Enzyme Intermediate Revealed by the Structure of the Bacillus Agaradhaerens Family 11 Xylanase. Chem.Biol., 6, 1999
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6O1L
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![BU of 6o1l by Molmil](/molmil-images/mine/6o1l) | Architectural principles for Hfq/Crc-mediated regulation of gene expression Hfq-Crc-amiE 2:3:2 complex | Descriptor: | Catabolite repression control protein, RNA (5'-R(*AP*AP*AP*AP*AP*UP*AP*AP*CP*AP*AP*CP*AP*AP*GP*AP*GP*G)-3'), RNA-binding protein Hfq | Authors: | Pei, X.Y, Dendooven, T, Sonnleitner, E, Chen, S, Blasi, U, Luisi, B.F. | Deposit date: | 2019-02-20 | Release date: | 2019-03-13 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Architectural principles for Hfq/Crc-mediated regulation of gene expression. Elife, 8, 2019
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6O1K
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![BU of 6o1k by Molmil](/molmil-images/mine/6o1k) | Architectural principles for Hfq/Crc-mediated regulation of gene expression. Hfq-Crc-amiE 2:2:2 complex (core complex) | Descriptor: | Catabolite repression control protein, RNA (5'-R(*AP*AP*AP*AP*AP*UP*AP*AP*CP*AP*AP*CP*AP*AP*GP*AP*GP*G)-3'), RNA-binding protein Hfq | Authors: | Pei, X.Y, Dendooven, T, Sonnleitner, E, Chen, S, Blasi, U, Luisi, B.F. | Deposit date: | 2019-02-20 | Release date: | 2019-03-13 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Architectural principles for Hfq/Crc-mediated regulation of gene expression Elife, 8, 2019
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1Q7A
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![BU of 1q7a by Molmil](/molmil-images/mine/1q7a) | Crystal structure of the complex formed between russell's viper phospholipase A2 and an antiinflammatory agent oxyphenbutazone at 1.6A resolution | Descriptor: | 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-3,5-DIONE, METHANOL, Phospholipase A2 VRV-PL-VIIIa, ... | Authors: | Singh, N, Jabeen, T, Sharma, S, Singh, T.P. | Deposit date: | 2003-08-17 | Release date: | 2004-05-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Phospholipase A2 as a target protein for nonsteroidal anti-inflammatory drugs (NSAIDS): crystal structure of the complex formed between phospholipase A2 and oxyphenbutazone at 1.6 A resolution. Biochemistry, 43, 2004
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2AAF
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1QWN
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![BU of 1qwn by Molmil](/molmil-images/mine/1qwn) | GOLGI ALPHA-MANNOSIDASE II Covalent Intermediate Complex with 5-fluoro-gulosyl-fluoride | Descriptor: | (2R,3S,4R,5S)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Numao, S, Kuntz, D.A, Withers, S.G, Rose, D.R. | Deposit date: | 2003-09-02 | Release date: | 2003-10-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Insights into the mechanism of Drosophila melanogaster Golgi alpha-mannosidase II through the structural analysis of covalent reaction intermediates. J.Biol.Chem., 278, 2003
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1VM1
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![BU of 1vm1 by Molmil](/molmil-images/mine/1vm1) | STRUCTURE OF SHV-1 BETA-LACTAMASE INHIBITED BY TAZOBACTAM | Descriptor: | ACRYLIC ACID, BETA-LACTAMASE SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, ... | Authors: | Kuzin, A.P, Nukaga, M, Nukaga, Y, Hujer, A, Bonomo, R.A, Knox, J.R. | Deposit date: | 2004-08-27 | Release date: | 2004-09-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Inhibition of the SHV-1 beta-lactamase by sulfones: crystallographic observation of two reaction intermediates with tazobactam. Biochemistry, 40, 2001
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2ABR
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6XWS
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![BU of 6xws by Molmil](/molmil-images/mine/6xws) | Crystal Structure of Drosophila CAL1 1-160 bound to CENP-A/H4 | Descriptor: | Chromosome alignment defect 1,Chromosome alignment defect 1, Histone H3-like centromeric protein cid, Histone H4 | Authors: | Jeyaprakash, A.A, Medina-Pritchard, B, Lazou, V, Zou, J, Byron, O, Abad, M.A, Rappsilber, J, Heun, P. | Deposit date: | 2020-01-24 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (4.36 Å) | Cite: | Structural basis for centromere maintenance by Drosophila CENP-A chaperone CAL1. Embo J., 39, 2020
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1ETR
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![BU of 1etr by Molmil](/molmil-images/mine/1etr) | REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS | Descriptor: | EPSILON-THROMBIN, amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium | Authors: | Bode, W, Brandstetter, H. | Deposit date: | 1992-07-06 | Release date: | 1994-01-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics. J.Mol.Biol., 226, 1992
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6XWT
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![BU of 6xwt by Molmil](/molmil-images/mine/6xwt) | drosophila melanogaster CENP-A/H4 bound to N-terminal CAL1 fragment | Descriptor: | Chromosome alignment defect 1, Histone H3-like centromeric protein cid, Histone H4 | Authors: | Jeyaprakash, A.A, Medina-Pritchard, B, Lazou, V, Zou, J, Byron, O, Abad, M.A, Rappsilber, J, Heun, P. | Deposit date: | 2020-01-24 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.47 Å) | Cite: | Structural basis for centromere maintenance by Drosophila CENP-A chaperone CAL1. Embo J., 39, 2020
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5F3D
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![BU of 5f3d by Molmil](/molmil-images/mine/5f3d) | Structure of quinolinate synthase in complex with reaction intermediate W | Descriptor: | 2-IMINO,3-CARBOXY,5-OXO,6-HYDROXY HEXANOIC ACID, IRON/SULFUR CLUSTER, Quinolinate synthase A, ... | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | Deposit date: | 2015-12-02 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Quinolinate Synthase in Complex with a Substrate Analogue, the Condensation Intermediate, and Substrate-Derived Product. J.Am.Chem.Soc., 138, 2016
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1K3X
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![BU of 1k3x by Molmil](/molmil-images/mine/1k3x) | Crystal structure of a trapped reaction intermediate of the DNA repair enzyme Endonuclease VIII with Brominated-DNA | Descriptor: | 5'-D(*CP*CP*AP*GP*GP*AP*(PED)P*GP*AP*AP*GP*CP*C)-3', 5'-D(*GP*GP*CP*(BRU)P*(BRU)P*CP*AP*(BRU)P*CP*CP*(BRU)P*GP*G)-3', Endonuclease VIII, ... | Authors: | Golan, G, Zharkov, D.O, Gilboa, R, Fernandes, A.S, Kycia, J.H, Gerchman, S.E, Rieger, R.A, Grollman, A.P, Shoham, G. | Deposit date: | 2001-10-04 | Release date: | 2002-10-04 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structural analysis of an Escherichia coli endonuclease VIII covalent reaction intermediate. EMBO J., 21, 2002
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5J8D
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![BU of 5j8d by Molmil](/molmil-images/mine/5j8d) | Structure of nitroreductase from E. cloacae complexed with nicotinic acid adenine dinucleotide | Descriptor: | FLAVIN MONONUCLEOTIDE, NICOTINIC ACID ADENINE DINUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase | Authors: | Haynes, C.A, Koder, R.L, Miller, A.F, Rodgers, D.W. | Deposit date: | 2016-04-07 | Release date: | 2017-05-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mechanism-Informed Refinement Reveals Altered Substrate-Binding Mode for Catalytically Competent Nitroreductase. Structure, 25, 2017
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7QLP
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![BU of 7qlp by Molmil](/molmil-images/mine/7qlp) | Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.3 A resolution | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M. | Deposit date: | 2021-12-20 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam. Acta Crystallogr D Struct Biol, 78, 2022
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7QNK
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![BU of 7qnk by Molmil](/molmil-images/mine/7qnk) | Structure of beta-lactamase TEM-171 complexed with tazobactam intermediate at 2.5 A resolution | Descriptor: | ACETATE ION, Beta-lactamase TEM, TAZOBACTAM INTERMEDIATE | Authors: | Hakanpaa, J, Petrova, T, Samygina, V.R, Lamzin, V.S, Egorov, A.M. | Deposit date: | 2021-12-21 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam. Acta Crystallogr D Struct Biol, 78, 2022
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